method,basis,charge,pseudopotential,system,totalenergy,totalenergy-stocherr,totalenergy-syserr,SHCIref,SHCIreferr,HFref,Number-of-determinants,beta,truncation-weight,trial-wavefunction,ncas,ncore,note
AFQMC(MD),vqz,0,trail,VO,-87.2824,0.0011,0.0,-87.288681736,1e-05,-86.40819514293459,1306.0,,0.001,tCASCSF,12.0,5.0,
AFQMC(MD),vqz,1,trail,Cr,-86.5173,0.0011,0.0,-86.51867,1.764e-06,-85.99861621753384,26.0,,0.001,tCASCSF,9.0,1.0,
AFQMC(MD),vtz,1,trail,Cr,-86.4728,0.0011,0.0,-86.47298,2.01e-07,-85.99858355154308,26.0,,0.001,tCASCSF,9.0,1.0,
AFQMC(MD),vdz,1,trail,Cr,-86.3704,0.0007,0.0,-86.37241,4.6e-08,-85.99840800159254,44.0,,0.001,tCASCSF,9.0,1.0,
AFQMC(MD),v5z,0,trail,Cr,-86.7826,0.0012,0.0,-86.78532,0.0,-86.21910985180031,17.0,,0.001,tCASCSF,9.0,1.0,
AFQMC(MD),vqz,0,trail,Cr,-86.7672,0.0012,0.0,-86.76760999999998,0.0,-86.21909581115591,16.0,,0.001,tCASCSF,9.0,1.0,
AFQMC(MD),vtz,0,trail,Cr,-86.7197,0.0012,0.0,-86.72091999999998,4.48e-07,-86.21884242573502,13.0,,0.001,tCASCSF,9.0,1.0,
AFQMC(MD),vdz,0,trail,Cr,-86.6116,0.0009,0.0,-86.61203,1.24e-07,-86.21795636713652,13.0,,0.001,tCASCSF,9.0,1.0,
AFQMC(MD),v5z,1,trail,V,-70.9678,0.0011,0.0,-70.97182,0.0,-70.47890119732277,45.0,,0.001,tCASCSF,15.0,4.0,
AFQMC(MD),v5z,1,trail,Cr,-86.53399999999999,0.0013,0.0,-86.53627,0.0,-85.99871084112391,26.0,,0.001,tCASCSF,9.0,1.0,
AFQMC(MD),vqz,1,trail,V,-70.953,0.001,0.0,-70.95759,8.42e-07,-70.47878254097698,97.0,,0.001,tCASCSF,15.0,4.0,
AFQMC(MD),vdz,1,trail,V,-70.8257,0.0009,0.0,-70.8284,3.2e-08,-70.47804713713508,41.0,,0.001,tCASCSF,15.0,4.0,
AFQMC(MD),v5z,0,trail,V,-71.2155,0.0011,0.0,-71.21983,0.0,-70.69714489237121,30.0,,0.001,tCASCSF,9.0,4.0,
AFQMC(MD),vqz,0,trail,V,-71.2003,0.0011,0.0,-71.20578,1e-05,-70.69711953301085,29.0,,0.001,tCASCSF,9.0,4.0,
AFQMC(MD),vtz,0,trail,V,-71.1647,0.001,0.0,-71.16898,1.017e-06,-70.69687058820543,30.0,,0.001,tCASCSF,9.0,4.0,
AFQMC(MD),vqz,0,trail,TiO,-74.0708,0.0011,0.0,-74.07548786,1e-05,-73.27696889209976,198.0,,0.001,tCASCSF,9.0,5.0,
AFQMC(MD),v5z,1,trail,Ti,-57.7385,0.0009,0.0,-57.74316,0.0,-57.320045716102676,23.0,,0.001,tCASCSF,10.0,4.0,
AFQMC(MD),vqz,1,trail,Ti,-57.728,0.0007,0.0,-57.73256,7.33e-07,-57.319727268097715,21.0,,0.001,tCASCSF,10.0,4.0,
AFQMC(MD),vtz,1,trail,Ti,-57.6995,0.0008,0.0,-57.70424000000001,5.7e-08,-57.318310870851406,21.0,,0.001,tCASCSF,10.0,4.0,
AFQMC(MD),vtz,1,trail,V,-70.916,0.001,0.0,-70.91955,1.62e-07,-70.47870620861032,96.0,,0.001,tCASCSF,15.0,4.0,
AFQMC(MD),vdz,0,trail,Mn,-103.943,0.0008,0.0,-103.94226,4.56e-07,-103.51554736964935,13.0,,0.001,tCASCSF,9.0,4.0,
AFQMC(MD),vtz,0,trail,Mn,-104.0631,0.0011,0.0,-104.06366,9.9e-07,-103.51751723050371,13.0,,0.001,tCASCSF,9.0,4.0,
AFQMC(MD),vqz,0,trail,Mn,-104.1163,0.0011,0.0,-104.11501,3.37e-06,-103.51774137665831,13.0,,0.001,tCASCSF,9.0,4.0,
AFQMC(MD),vtz,1,trail,Cu,-197.1694,0.0011,0.0,-197.16304,6.5e-07,-196.32520712735686,132.0,,0.01,tCASCSF,19.0,4.0,
AFQMC(MD),vdz,1,trail,Cu,-196.9747,0.0013,0.0,-196.96723,1.474e-06,-196.32402730647453,142.0,,0.01,tCASCSF,19.0,4.0,
AFQMC(MD),v5z,0,trail,Cu,-197.5754,0.002,0.0,-197.57608,1.068e-06,-196.5663811367177,149.0,,0.001,tCASCSF,12.0,1.0,
AFQMC(MD),vqz,0,trail,Cu,-197.5342,0.0016,0.0,-197.53642,1.98e-05,-196.5663491464669,237.0,,0.001,tCASCSF,12.0,1.0,
AFQMC(MD),vtz,0,trail,Cu,-197.4426,0.0017,0.0,-197.44464,4.59e-07,-196.56611793957046,158.0,,0.001,tCASCSF,12.0,1.0,
AFQMC(MD),vdz,0,trail,Cu,-197.2384,0.0014,0.0,-197.2369,1.152e-06,-196.56440183256336,100.0,,0.001,tCASCSF,12.0,1.0,
AFQMC(MD),v5z,1,trail,Fe,-123.4476,0.0014,0.0,-123.45183,3e-08,-122.805367259054,1.0,,0.001,tCASCSF,6.0,4.0,
AFQMC(MD),vqz,1,trail,Fe,-123.4244,0.0011,0.0,-123.42709,3.122e-06,-122.80506201856676,1.0,,0.001,tCASCSF,6.0,4.0,
AFQMC(MD),vtz,1,trail,Fe,-123.3641,0.001,0.0,-123.36857,5.41e-07,-122.80424852863449,1.0,,0.001,tCASCSF,6.0,4.0,
AFQMC(MD),vdz,1,trail,Fe,-123.2313,0.001,0.0,-123.23354,1.2e-07,-122.79860715251272,1.0,,0.001,tCASCSF,6.0,4.0,
AFQMC(MD),v5z,0,trail,Fe,-123.7377,0.0014,0.0,-123.7418,1.98e-07,-123.03901838784545,22.0,,0.001,tCASCSF,9.0,4.0,
AFQMC(MD),vqz,0,trail,Fe,-123.7146,0.0012,0.0,-123.71675,1.63e-05,-123.03893433543683,25.0,,0.001,tCASCSF,9.0,4.0,
AFQMC(MD),vtz,0,trail,Fe,-123.6531,0.0011,0.0,-123.6572,5.71e-07,-123.03857246947872,17.0,,0.001,tCASCSF,9.0,4.0,
AFQMC(MD),vdz,0,trail,Fe,-123.5145,0.0008,0.0,-123.51812,6.459999999999999e-07,-123.03606101031244,17.0,,0.001,tCASCSF,9.0,4.0,
AFQMC(MD),v5z,1,trail,Mn,-103.8632,0.0008,0.0,-103.86284,0.0,-103.29970385074444,1.0,,0.001,tCASCSF,9.0,4.0,
AFQMC(MD),vqz,1,trail,Mn,-103.844,0.0008,0.0,-103.84272,2.375e-06,-103.29943473113407,1.0,,0.001,tCASCSF,9.0,4.0,
AFQMC(MD),vtz,1,trail,Mn,-103.7916,0.0008,0.0,-103.79214,1.99e-07,-103.29880070636771,1.0,,0.001,tCASCSF,9.0,4.0,
AFQMC(MD),vdz,1,trail,Mn,-103.6744,0.0009,0.0,-103.67336,4.2e-08,-103.29335920887651,1.0,,0.001,tCASCSF,9.0,4.0,
AFQMC(MD),v5z,0,trail,Mn,-104.1362,0.0012,0.0,-104.13542,4.9e-08,-103.51775094214493,13.0,,0.001,tCASCSF,9.0,4.0,
AFQMC(MD),vdz,1,trail,Ti,-57.6309,0.0009,0.0,-57.63401999999999,1.1e-08,-57.31379021206569,17.0,,0.001,tCASCSF,10.0,4.0,
AFQMC(MD),v5z,0,trail,Ti,-57.9889,0.0009,0.0,-57.99386,0.0,-57.52335292738408,45.0,,0.001,tCASCSF,10.0,4.0,
AFQMC(MD),vqz,0,trail,Ti,-57.9796,0.0008,0.0,-57.983000000000004,2.24e-06,-57.52332478221496,41.0,,0.001,tCASCSF,10.0,4.0,
AFQMC(MD),vtz,0,trail,Ti,-57.9514,0.0006,0.0,-57.95463,3.67e-07,-57.522468837232104,40.0,,0.001,tCASCSF,10.0,4.0,
AFQMC(MD),vtz,0,trail,CuO,-213.3823,0.0012,0.0,-213.37778,1.664e-06,-212.24349945673225,569.0,,0.001,tCASSCF,12.0,5.0,
AFQMC(MD),vdz,0,trail,CuO,-213.1271,0.0011,0.0,-213.12303,3.599e-06,-212.238829673217,473.0,,0.001,tCASSCF,12.0,5.0,
AFQMC(MD),v5z,0,trail,FeO,-139.7344,0.0012,0.0,-139.7416819491,1e-05,-138.66875655750619,,,0.001,tCASSCF,12.0,5.0,
AFQMC(MD),vqz,0,trail,FeO,-139.7075,0.0013,0.0,-139.7113522,1e-05,-138.6685140260192,1282.0,,0.001,tCASSCF,12.0,5.0,
AFQMC(MD),vtz,0,trail,FeO,-139.6295,0.0013,0.0,-139.63546000000002,2e-05,-138.667246980313,1024.0,,0.001,tCASSCF,12.0,5.0,
AFQMC(MD),vdz,0,trail,FeO,-139.4296,0.001,0.0,-139.43599,5.4039999999999986e-06,-138.66009692442393,1608.0,,0.001,tCASSCF,12.0,5.0,
AFQMC(MD),v5z,0,trail,MnO,-120.1216,0.0013,0.0,-120.1223644293,1e-05,-119.14098759444364,166.0,,0.001,tCASCSF,12.0,2.0,
AFQMC(MD),vqz,0,trail,MnO,-120.0935,0.0016,0.0,-120.09707125940001,1e-05,-119.14081170666552,150.0,,0.001,tCASCSF,12.0,2.0,
AFQMC(MD),vtz,0,trail,MnO,-120.0287,0.0014,0.0,-120.02928,2e-05,-119.13957526878391,183.0,,0.001,tCASCSF,12.0,2.0,
AFQMC(MD),vdz,0,trail,MnO,-119.8515,0.0014,0.0,-119.85051,1e-05,-119.1332394993054,177.0,,0.001,tCASCSF,12.0,2.0,
AFQMC(MD),v5z,0,trail,CrO,-102.7961,0.0019,0.0,-102.8027368164,1e-05,-101.84668971203637,112.0,,0.001,tCASCSF,9.0,5.0,
AFQMC(MD),vqz,0,trail,CrO,-102.7731,0.0016,0.0,-102.779756,1e-05,-101.84627163418828,112.0,,0.001,tCASCSF,9.0,5.0,
AFQMC(MD),vtz,0,trail,CrO,-102.7139,0.0012,0.0,-102.71867,1.99e-05,-101.84420581490784,113.0,,0.001,tCASCSF,9.0,5.0,
AFQMC(MD),vdz,0,trail,CrO,-102.5533,0.001,0.0,-102.55837,2.442e-06,-101.8381354486648,118.0,,0.001,tCASCSF,9.0,5.0,
AFQMC(MD),v5z,0,trail,VO,-87.3035,0.0011,0.0,-87.3073938172,1e-05,-86.40843884648703,1322.0,,0.001,tCASCSF,12.0,5.0,
AFQMC(MD),vdz,0,trail,TiO,-73.9019,0.0009,0.0,-73.90375,6.77e-07,-73.26973605789902,220.0,,0.001,tCASCSF,9.0,5.0,
AFQMC(MD),vtz,0,trail,VO,-87.2291,0.0012,0.0,-87.23526,2e-05,-86.40670018837703,1699.0,,0.001,tCASCSF,12.0,5.0,
AFQMC(MD),vdz,0,trail,VO,-87.0818,0.001,0.0,-87.08577,2.7300000000000003e-05,-86.4002119655646,1781.0,,0.001,tCASCSF,12.0,5.0,
AFQMC(MD),v5z,0,trail,TiO,-74.0875,0.0014,0.0,-74.09147310520001,1e-05,-73.2771786400687,219.0,,0.001,tCASCSF,9.0,5.0,
AFQMC(MD),vqz,0,trail,CuO,-213.4841,0.0017,0.0,-213.4842442,1e-05,-212.24422133071548,494.0,,0.001,tCASSCF,12.0,5.0,
AFQMC(MD),vqz,1,trail,Cu,-197.2585,0.0014,0.0,-197.25343,3.012e-06,-196.32534219464927,154.0,,0.01,tCASCSF,19.0,4.0,
AFQMC(MD),v5z,0,trail,CuO,-213.5277,0.0016,0.0,-213.5291282959,1e-05,-212.2443632841544,419.0,,0.001,tCASSCF,12.0,5.0,
AFQMC(MD),vqz,0,trail,ScO,-62.5662,0.0016,0.0,-62.56845381,1e-05,-61.834924297751634,177.0,,0.001,tCASCSF,9.0,5.0,
AFQMC(MD),vdz,0,trail,Ti,-57.8789,0.0006,0.0,-57.88305,2.26e-07,-57.52051227493378,40.0,,0.001,tCASCSF,10.0,4.0,
AFQMC(MD),v5z,1,trail,Sc,-46.2392,0.0005,0.0,-46.24115,1.398e-05,-45.86020861913251,74.0,,0.001,tCASCSF,9.0,1.0,
AFQMC(MD),vqz,1,trail,Sc,-46.2307,0.0006,0.0,-46.23311,9.94e-07,-45.859964744612796,50.0,,0.001,tCASCSF,9.0,1.0,
AFQMC(MD),vtz,1,trail,Sc,-46.2088,0.0004,0.0,-46.21149000000001,0.0,-45.85935928101564,76.0,,0.001,tCASCSF,9.0,1.0,
AFQMC(MD),vdz,1,trail,Sc,-46.155,0.0005,0.0,-46.15683,0.0,-45.85651158235275,82.0,,0.001,tCASCSF,9.0,1.0,
AFQMC(MD),v5z,0,trail,Sc,-46.4791,0.0011,0.0,-46.48213,0.0,-46.05773792407675,9.0,,0.001,tCASCSF,6.0,4.0,
AFQMC(MD),vqz,0,trail,Sc,-46.4726,0.0012,0.0,-46.474,1.07e-06,-46.057726629346845,11.0,,0.001,tCASCSF,6.0,4.0,
AFQMC(MD),vtz,0,trail,Sc,-46.4504,0.0012,0.0,-46.4523,8.800000000000002e-08,-46.05746799644578,11.0,,0.001,tCASCSF,6.0,4.0,
AFQMC(MD),vdz,0,trail,Sc,-46.3944,0.0012,0.0,-46.39685,5.4e-08,-46.056720086471316,11.0,,0.001,tCASCSF,6.0,4.0,
AFQMC(MD),v5z,1,trail,O,-15.3436,0.0004,0.0,-15.34479,0.0,-15.210911583355957,1.0,,0.001,tCASCSF,4.0,0.0,
AFQMC(MD),vqz,1,trail,O,-15.3413,0.0005,0.0,-15.3421,0.0,-15.210758359146777,1.0,,0.001,tCASCSF,4.0,0.0,
AFQMC(MD),vtz,1,trail,O,-15.3324,0.0003,0.0,-15.33358,0.0,-15.210120374674373,1.0,,0.001,tCASCSF,4.0,0.0,
AFQMC(MD),vdz,1,trail,O,-15.2997,0.0003,0.0,-15.300670000000002,0.0,-15.209469738930444,1.0,,0.001,tCASCSF,4.0,0.0,
AFQMC(MD),v5z,0,trail,O,-15.8418,0.0002,0.0,-15.84317,0.0,-15.651935198107855,131.0,,0.001,tCASCSF,13.0,0.0,
AFQMC(MD),vqz,0,trail,O,-15.8379,0.0002,0.0,-15.83909,5.31e-06,-15.651914835093455,132.0,,0.001,tCASCSF,13.0,0.0,
AFQMC(MD),vtz,0,trail,O,-15.8257,0.0002,0.0,-15.82702,0.0,-15.65178729066239,121.0,,0.001,tCASCSF,13.0,0.0,
AFQMC(MD),vdz,0,trail,O,-15.7808,0.0001,0.0,-15.78125,0.0,-15.650898615762124,114.0,,0.001,tCASCSF,13.0,0.0,
AFQMC(MD),vdz,0,trail,ScO,-62.4192,0.0013,0.0,-62.42004,9.92e-06,-61.829342751826275,163.0,,0.001,tCASCSF,9.0,5.0,
AFQMC(MD),vtz,0,trail,ScO,-62.5283,0.0013,0.0,-62.53013000000001,9.96e-06,-61.83374588456312,148.0,,0.001,tCASCSF,9.0,5.0,
AFQMC(MD),v5z,0,trail,ScO,-62.5794,0.0012,0.0,-62.5821409609,1e-05,-61.8350828626785,152.0,,0.001,tCASCSF,9.0,5.0,
AFQMC(MD),v5z,1,trail,Cu,-197.2994,0.0016,0.0,-197.29251,3.86e-07,-196.3253458468569,135.0,,0.01,tCASCSF,19.0,4.0,
AFQMC(MD),vdz,0,trail,V,-71.0746,0.0008,0.0,-71.07767,3.2600000000000003e-07,-70.69525960473436,24.0,,0.001,tCASCSF,9.0,4.0,
AFQMC(MD),vtz,0,trail,TiO,-74.0264,0.001,0.0,-74.03085,1.99e-05,-73.27527588824228,174.0,,0.001,tCASCSF,9.0,5.0,
B3LYP,cbs,1,trail,Sc,-46.192477854522686,0.0,0.0,-46.2493458862109,0.0,-45.860224963855885,,,,,,,
B3LYP,cbs,1,trail,O,-15.332792620968052,0.0,0.0,-15.348000500825664,0.0,-15.21146054892568,,,,,,,
B3LYP,cbs,1,trail,Mn,-103.86465076668968,0.0,0.0,-103.88361082582092,0.0,-103.2996475233697,,,,,,,
B3LYP,cbs,1,trail,Fe,-123.47993747602864,0.0,0.0,-123.4774306495826,0.0,-122.80533143963957,,,,,,,
B3LYP,cbs,1,trail,Cr,-86.53103154355685,0.0,0.0,-86.55468488529472,0.0,-85.99875942985739,,,,,,,
B3LYP,cbs,0,trail,VO,-87.26110889787012,0.0,0.0,-87.32689060024185,0.0,-86.4085589710134,,,,,,,
B3LYP,cbs,0,trail,V,-71.19515024170316,0.0,0.0,-71.23455541725886,0.0,-70.69715593256555,,,,,,,
B3LYP,cbs,0,trail,TiO,-74.04560764894717,0.0,0.0,-74.10825849037565,0.0,-73.27741268388714,,,,,,,
B3LYP,cbs,0,trail,Ti,-57.95957944025041,0.0,0.0,-58.005411399250676,0.0,-57.52353975763188,,,,,,,
B3LYP,cbs,1,trail,Ti,-57.711373618041364,0.0,0.0,-57.754145946506405,0.0,-57.32024446051594,,,,,,,
B3LYP,cbs,0,trail,ScO,-62.51809050202735,0.0,0.0,-62.59646590077432,0.0,-61.83521387628593,,,,,,,
B3LYP,cbs,0,trail,O,-15.845211226579087,0.0,0.0,-15.84743170708123,0.0,-15.651937613925504,,,,,,,
B3LYP,cbs,0,trail,MnO,-120.11095729045526,0.0,0.0,-120.14879091266157,0.0,-119.1410615195134,,,,,,,
B3LYP,cbs,0,trail,Mn,-104.13766743086208,0.0,0.0,-104.15683288610128,0.0,-103.5177600936748,,,,,,,
B3LYP,cbs,0,trail,FeO,-139.75558079682006,0.0,0.0,-139.77329254270236,0.0,-138.6688002342686,,,,,,,
B3LYP,cbs,0,trail,Fe,-123.7710791014694,0.0,0.0,-123.76799269977768,0.0,-123.03901730654364,,,,,,,
B3LYP,cbs,0,trail,CuO,-213.5931332592483,0.0,0.0,-213.5760822922472,0.0,-212.2443747048047,,,,,,,
B3LYP,cbs,0,trail,Cu,-197.6484725102716,0.0,0.0,-197.61766150093345,0.0,-196.5663857093897,,,,,,,
B3LYP,cbs,0,trail,CrO,-102.77835561293566,0.0,0.0,-102.82674546839144,0.0,-101.8470259825963,,,,,,,
B3LYP,cbs,0,trail,Cr,-86.78907282230992,0.0,0.0,-86.803920071058,0.0,-86.21914367041965,,,,,,,
B3LYP,cbs,0,trail,Sc,-46.428247191666095,0.0,0.0,-46.49069148197452,0.0,-46.05778142019411,,,,,,,
B3LYP,cbs,1,trail,V,-70.95232685759484,0.0,0.0,-70.98633341776896,0.0,-70.47860927092995,,,,,,,
B3LYP,cbs,1,trail,Cu,-197.3502056710726,0.0,0.0,-197.3335144795703,0.0,-196.32535219103852,,,,,,,
CISD,v5z,1,trail,Sc,-46.21311474740944,0.0,0.0,-46.24115,1.398e-05,-45.86020861913251,,,,,,,
CISD,vqz,0,trail,V,-71.15314311536551,0.0,0.0,-71.20578,1e-05,-70.69711953301085,,,,,,,
CISD,vqz,1,trail,V,-70.92269366256376,0.0,0.0,-70.95759,8.42e-07,-70.47878254097698,,,,,,,
CISD,vqz,0,trail,Cr,-86.72133177459902,0.0,0.0,-86.76760999999998,0.0,-86.21909581115591,,,,,,,
CISD,vqz,1,trail,Cr,-86.48159003347618,0.0,0.0,-86.51867,1.764e-06,-85.99861621753384,,,,,,,
CISD,vqz,0,trail,Mn,-104.05705418901907,0.0,0.0,-104.11501,3.37e-06,-103.51774137665831,,,,,,,
CISD,vqz,1,trail,Mn,-103.8066514308268,0.0,0.0,-103.84272,2.375e-06,-103.29943473113407,,,,,,,
CISD,vtz,0,trail,Mn,-104.01100177256602,0.0,0.0,-104.06366,9.9e-07,-103.51751723050371,,,,,,,
CISD,vqz,0,trail,Fe,-123.64921880264481,0.0,0.0,-123.71675,1.63e-05,-123.03893433543683,,,,,,,
CISD,vqz,1,trail,Fe,-123.38307031582758,0.0,0.0,-123.42709,3.122e-06,-122.80506201856676,,,,,,,
CISD,vqz,0,trail,Cu,-197.43658522147632,0.0,0.0,-197.53642,1.98e-05,-196.5663491464669,,,,,,,
CISD,vqz,1,trail,Cu,-197.17123468037133,0.0,0.0,-197.25343,3.012e-06,-196.32534219464927,,,,,,,
CISD,v5z,0,trail,O,-15.83558041901868,0.0,0.0,-15.84317,0.0,-15.651935198107855,,,,,,,
CISD,v5z,1,trail,O,-15.341762230595078,0.0,0.0,-15.34479,0.0,-15.210911583355957,,,,,,,
CISD,vdz,0,trail,ScO,-62.3320508086734,0.0,0.0,-62.42004,9.92e-06,-61.829342751826275,,,,,,,
CISD,vdz,0,trail,TiO,-73.80579895876407,0.0,0.0,-73.90375,6.77e-07,-73.26973605789902,,,,,,,
CISD,vdz,0,trail,VO,-86.96111187700431,0.0,0.0,-87.08577,2.7300000000000003e-05,-86.4002119655646,,,,,,,
CISD,vdz,0,trail,O,-15.777224235933778,0.0,0.0,-15.78125,0.0,-15.650898615762124,,,,,,,
CISD,vdz,1,trail,O,-15.299471686750241,0.0,0.0,-15.300670000000002,0.0,-15.209469738930444,,,,,,,
CISD,vdz,0,trail,Sc,-46.361961548028916,0.0,0.0,-46.39685,5.4e-08,-46.056720086471316,,,,,,,
CISD,vqz,1,trail,Ti,-57.70361895845425,0.0,0.0,-57.73256,7.33e-07,-57.319727268097715,,,,,,,
CISD,vdz,1,trail,Sc,-46.137776497163344,0.0,0.0,-46.15683,0.0,-45.85651158235275,,,,,,,
CISD,vqz,0,trail,Ti,-57.93451643906869,0.0,0.0,-57.983000000000004,2.24e-06,-57.52332478221496,,,,,,,
CISD,vqz,0,trail,Sc,-46.42866848289936,0.0,0.0,-46.474,1.07e-06,-46.057726629346845,,,,,,,
CISD,v5z,0,trail,CuO,-213.34583123109417,0.0,0.0,-213.5291282959,1e-05,-212.2443632841544,,,,,,,
CISD,v5z,0,trail,FeO,-139.55964652955194,0.0,0.0,-139.7416819491,1e-05,-138.66875655750619,,,,,,,
CISD,v5z,0,trail,MnO,-119.96804753429116,0.0,0.0,-120.1223644293,1e-05,-119.14098759444364,,,,,,,
CISD,v5z,0,trail,CrO,-102.62616915606544,0.0,0.0,-102.8027368164,1e-05,-101.84668971203637,,,,,,,
CISD,v5z,0,trail,VO,-87.14023775979561,0.0,0.0,-87.3073938172,1e-05,-86.40843884648703,,,,,,,
CISD,v5z,0,trail,TiO,-73.95988251520977,0.0,0.0,-74.09147310520001,1e-05,-73.2771786400687,,,,,,,
CISD,v5z,0,trail,ScO,-62.465304643585526,0.0,0.0,-62.5821409609,1e-05,-61.8350828626785,,,,,,,
CISD,vqz,0,trail,CuO,-213.3067926488543,0.0,0.0,-213.4842442,1e-05,-212.24422133071548,,,,,,,
CISD,vqz,0,trail,FeO,-139.533580110008,0.0,0.0,-139.7113522,1e-05,-138.6685140260192,,,,,,,
CISD,vqz,0,trail,MnO,-119.94594696535565,0.0,0.0,-120.09707125940001,1e-05,-119.14081170666552,,,,,,,
CISD,vqz,0,trail,CrO,-102.60711753266476,0.0,0.0,-102.779756,1e-05,-101.84627163418828,,,,,,,
CISD,vqz,0,trail,VO,-87.12409179770361,0.0,0.0,-87.288681736,1e-05,-86.40819514293459,,,,,,,
CISD,vqz,0,trail,TiO,-73.9462532335061,0.0,0.0,-74.07548786,1e-05,-73.27696889209976,,,,,,,
CISD,vtz,0,trail,Fe,-123.59610759540286,0.0,0.0,-123.6572,5.71e-07,-123.03857246947872,,,,,,,
CISD,vtz,1,trail,Fe,-123.3296044365411,0.0,0.0,-123.36857,5.41e-07,-122.80424852863449,,,,,,,
CISD,vtz,0,trail,Cu,-197.35493704121518,0.0,0.0,-197.44464,4.59e-07,-196.56611793957046,,,,,,,
CISD,vtz,1,trail,Cu,-197.08986967292128,0.0,0.0,-197.16304,6.5e-07,-196.32520712735686,,,,,,,
CISD,v5z,0,trail,Sc,-46.43590948458834,0.0,0.0,-46.48213,0.0,-46.05773792407675,,,,,,,
CISD,vqz,1,trail,O,-15.339177818333464,0.0,0.0,-15.3421,0.0,-15.210758359146777,,,,,,,
CISD,vqz,1,trail,Sc,-46.20579002755321,0.0,0.0,-46.23311,9.94e-07,-45.859964744612796,,,,,,,
CISD,vdz,0,trail,Ti,-57.84730730030394,0.0,0.0,-57.88305,2.26e-07,-57.52051227493378,,,,,,,
CISD,vqz,0,trail,O,-15.831695188963785,0.0,0.0,-15.83909,5.31e-06,-15.651914835093455,,,,,,,
CISD,vdz,0,trail,V,-71.04141973882327,0.0,0.0,-71.07767,3.2600000000000003e-07,-70.69525960473436,,,,,,,
CISD,vtz,0,trail,CrO,-102.55558011369128,0.0,0.0,-102.71867,1.99e-05,-101.84420581490784,,,,,,,
CISD,vtz,0,trail,MnO,-119.88838485939085,0.0,0.0,-120.02928,2e-05,-119.13957526878391,,,,,,,
CISD,vtz,0,trail,FeO,-139.4695399667299,0.0,0.0,-139.63546000000002,2e-05,-138.667246980313,,,,,,,
CISD,vtz,0,trail,CuO,-213.2152806353837,0.0,0.0,-213.37778,1.664e-06,-212.24349945673225,,,,,,,
CISD,vqz,0,trail,ScO,-62.4538801208993,0.0,0.0,-62.56845381,1e-05,-61.834924297751634,,,,,,,
CISD,vtz,1,trail,Cr,-86.44010746198812,0.0,0.0,-86.47298,2.01e-07,-85.99858355154308,,,,,,,
CISD,vtz,0,trail,Cr,-86.67968611975294,0.0,0.0,-86.72091999999998,4.48e-07,-86.21884242573502,,,,,,,
CISD,vtz,1,trail,V,-70.88817862427051,0.0,0.0,-70.91955,1.62e-07,-70.47870620861032,,,,,,,
CISD,vtz,0,trail,V,-71.12029298309568,0.0,0.0,-71.16898,1.017e-06,-70.69687058820543,,,,,,,
CISD,vtz,1,trail,Ti,-57.67774969994225,0.0,0.0,-57.70424000000001,5.7e-08,-57.318310870851406,,,,,,,
CISD,vtz,0,trail,Ti,-57.90920922243373,0.0,0.0,-57.95463,3.67e-07,-57.522468837232104,,,,,,,
CISD,vtz,1,trail,Sc,-46.186279979363356,0.0,0.0,-46.21149000000001,0.0,-45.85935928101564,,,,,,,
CISD,vtz,0,trail,Sc,-46.40957002910147,0.0,0.0,-46.4523,8.800000000000002e-08,-46.05746799644578,,,,,,,
CISD,vtz,1,trail,O,-15.331009177552593,0.0,0.0,-15.33358,0.0,-15.210120374674373,,,,,,,
CISD,vtz,0,trail,O,-15.82029100258718,0.0,0.0,-15.82702,0.0,-15.65178729066239,,,,,,,
CISD,vtz,0,trail,VO,-87.07948497409346,0.0,0.0,-87.23526,2e-05,-86.40670018837703,,,,,,,
CISD,vtz,0,trail,TiO,-73.90852477983368,0.0,0.0,-74.03085,1.99e-05,-73.27527588824228,,,,,,,
CISD,vtz,0,trail,ScO,-62.42145907911089,0.0,0.0,-62.53013000000001,9.96e-06,-61.83374588456312,,,,,,,
CISD,vdz,0,trail,CuO,-213.00212195877214,0.0,0.0,-213.12303,3.599e-06,-212.238829673217,,,,,,,
CISD,vdz,1,trail,Ti,-57.6149767587303,0.0,0.0,-57.63401999999999,1.1e-08,-57.31379021206569,,,,,,,
CISD,v5z,0,trail,Ti,-57.94412920775004,0.0,0.0,-57.99386,0.0,-57.52335292738408,,,,,,,
CISD,v5z,1,trail,Ti,-57.71334746496681,0.0,0.0,-57.74316,0.0,-57.320045716102676,,,,,,,
CISD,v5z,0,trail,V,-71.16565228983215,0.0,0.0,-71.21983,0.0,-70.69714489237121,,,,,,,
CISD,v5z,1,trail,V,-70.93580741445626,0.0,0.0,-70.97182,0.0,-70.47890119732277,,,,,,,
CISD,v5z,0,trail,Cr,-86.73738822656397,0.0,0.0,-86.78532,0.0,-86.21910985180031,,,,,,,
CISD,v5z,1,trail,Cr,-86.49774235554425,0.0,0.0,-86.53627,0.0,-85.99871084112391,,,,,,,
CISD,vdz,1,trail,Cu,-196.91823270210168,0.0,0.0,-196.96723,1.474e-06,-196.32402730647453,,,,,,,
CISD,v5z,0,trail,Mn,-104.07557665533614,0.0,0.0,-104.13542,4.9e-08,-103.51775094214493,,,,,,,
CISD,v5z,0,trail,Fe,-123.6720255368032,0.0,0.0,-123.7418,1.98e-07,-123.03901838784545,,,,,,,
CISD,v5z,1,trail,Fe,-123.40592936020796,0.0,0.0,-123.45183,3e-08,-122.805367259054,,,,,,,
CISD,v5z,0,trail,Cu,-197.47259298877202,0.0,0.0,-197.57608,1.068e-06,-196.5663811367177,,,,,,,
CISD,v5z,1,trail,Cu,-197.20707611425823,0.0,0.0,-197.29251,3.86e-07,-196.3253458468569,,,,,,,
CISD,vdz,0,trail,CrO,-102.42575610793536,0.0,0.0,-102.55837,2.442e-06,-101.8381354486648,,,,,,,
CISD,vdz,0,trail,MnO,-119.74072228579745,0.0,0.0,-119.85051,1e-05,-119.1332394993054,,,,,,,
CISD,vdz,0,trail,FeO,-139.30651229764072,0.0,0.0,-139.43599,5.4039999999999986e-06,-138.66009692442393,,,,,,,
CISD,v5z,1,trail,Mn,-103.82525717015278,0.0,0.0,-103.86284,0.0,-103.29970385074444,,,,,,,
CISD,vdz,0,trail,Cu,-197.17639194989945,0.0,0.0,-197.2369,1.152e-06,-196.56440183256336,,,,,,,
CISD,vtz,1,trail,Mn,-103.76020330423604,0.0,0.0,-103.79214,1.99e-07,-103.29880070636771,,,,,,,
CISD,vdz,1,trail,Fe,-123.20831399668384,0.0,0.0,-123.23354,1.2e-07,-122.79860715251272,,,,,,,
CISD,vdz,0,trail,Fe,-123.47470338148192,0.0,0.0,-123.51812,6.459999999999999e-07,-123.03606101031244,,,,,,,
CISD,vdz,1,trail,Mn,-103.65261757154234,0.0,0.0,-103.67336,4.2e-08,-103.29335920887651,,,,,,,
CISD,vdz,0,trail,Mn,-103.90426454657879,0.0,0.0,-103.94226,4.56e-07,-103.51554736964935,,,,,,,
CISD,vdz,1,trail,Cr,-86.35065553998156,0.0,0.0,-86.37241,4.6e-08,-85.99840800159254,,,,,,,
CISD,vdz,0,trail,Cr,-86.5854620267559,0.0,0.0,-86.61203,1.24e-07,-86.21795636713652,,,,,,,
CISD,vdz,1,trail,V,-70.80768678542528,0.0,0.0,-70.8284,3.2e-08,-70.47804713713508,,,,,,,
DMC(SD),cbs,0,trail,MnO,-120.05653865,0.0012502903129996616,0.0,-120.14879091266157,0.0,-119.1410615195134,,,,,,,
DMC(SD),cbs,0,trail,CuO,-213.47082285,0.0014049849753816116,0.0,-213.5760822922472,0.0,-212.2443747048047,,,,,,,
DMC(SD),cbs,0,trail,FeO,-139.66871180000004,0.0013222040187137554,0.0,-139.77329254270236,0.0,-138.6688002342686,,,,,,,
DMC(SD),cbs,0,trail,Cr,-86.756562139902,0.00028141208088933444,0.0,-86.803920071058,0.0,-86.21914367041965,,,,,,,
DMC(SD),cbs,0,trail,CrO,-102.7322374,0.0009957282331586764,0.0,-102.82674546839144,0.0,-101.8470259825963,,,,,,,
DMC(SD),cbs,0,trail,Cu,-197.54125822352955,0.0007178709178234479,0.0,-197.61766150093345,0.0,-196.5663857093897,,,,,,,
DMC(SD),cbs,1,trail,Cu,-197.2634846588237,0.0002588080821680128,0.0,-197.3335144795703,0.0,-196.32535219103852,,,,,,,
DMC(SD),cbs,0,trail,Fe,-123.69587079607851,0.00020328549453749856,0.0,-123.76799269977768,0.0,-123.03901730654364,,,,,,,
DMC(SD),cbs,1,trail,Cr,-86.51049693107849,0.0001557846674028642,0.0,-86.55468488529472,0.0,-85.99875942985739,,,,,,,
DMC(SD),cbs,0,trail,Mn,-104.09653065490204,0.00033647476214044745,0.0,-104.15683288610128,0.0,-103.5177600936748,,,,,,,
DMC(SD),cbs,0,trail,ScO,-62.544278565000006,0.0002074237422887525,0.0,-62.59646590077432,0.0,-61.83521387628593,,,,,,,
DMC(SD),cbs,0,trail,TiO,-74.041108445,0.0003504590228145041,0.0,-74.10825849037565,0.0,-73.27741268388714,,,,,,,
DMC(SD),cbs,0,trail,VO,-87.24517062500001,0.0009467699583699092,0.0,-87.32689060024185,0.0,-86.4085589710134,,,,,,,
DMC(SD),cbs,1,trail,V,-70.94137559,0.0005214578348631596,0.0,-70.98633341776896,0.0,-70.47860927092995,,,,,,,
DMC(SD),cbs,1,trail,Fe,-123.41525538725494,0.00021321586716967813,0.0,-123.4774306495826,0.0,-122.80533143963957,,,,,,,
DMC(SD),cbs,1,trail,Ti,-57.70698608813729,0.00024299824096604716,0.0,-57.754145946506405,0.0,-57.32024446051594,,,,,,,
DMC(SD),cbs,0,trail,V,-71.18237480852946,0.00015420142118003803,0.0,-71.23455541725886,0.0,-70.69715593256555,,,,,,,
DMC(SD),cbs,1,trail,Mn,-103.83302670882358,0.00017842794188688898,0.0,-103.88361082582092,0.0,-103.2996475233697,,,,,,,
DMC(SD),cbs,1,trail,Sc,-46.215581627451016,9.93975825510395e-05,0.0,-46.2493458862109,0.0,-45.860224963855885,,,,,,,
DMC(SD),cbs,0,trail,Sc,-46.458699471274535,0.00018267241869533056,0.0,-46.49069148197452,0.0,-46.05778142019411,,,,,,,
DMC(SD),cbs,1,trail,O,-15.333215514411776,4.8331322012728726e-05,0.0,-15.348000500825664,0.0,-15.21146054892568,,,,,,,
DMC(SD),cbs,0,trail,O,-15.831236959803931,7.177228713696716e-05,0.0,-15.84743170708123,0.0,-15.651937613925504,,,,,,,
DMC(SD),cbs,0,trail,Ti,-57.95304828313729,0.00022675068809899834,0.0,-58.005411399250676,0.0,-57.52353975763188,,,,,,,
DMRG,vtz,0,trail,V,-71.168829,0.0,0.000286,-71.16898,1.017e-06,-70.69687058820543,,,,,,,
DMRG,vdz,1,trail,V,-70.828471,0.0,8.8e-05,-70.8284,3.2e-08,-70.47804713713508,,,,,,,
DMRG,vdz,0,trail,CuO,-213.1232,0.0,0.0009,-213.12303,3.599e-06,-212.238829673217,,,,,,,
DMRG,vdz,0,trail,CrO,-102.5582,0.0,0.0008,-102.55837,2.442e-06,-101.8381354486648,,,,,,,
DMRG,vdz,0,trail,FeO,-139.4354,0.0,0.0008,-139.43599,5.4039999999999986e-06,-138.66009692442393,,,,,,,
DMRG,vtz,1,trail,Ti,-57.704399,0.0,0.0003,-57.70424000000001,5.7e-08,-57.318310870851406,,,,,,,
DMRG,vdz,0,trail,ScO,-62.4203,0.0,0.0002,-62.42004,9.92e-06,-61.829342751826275,,,,,,,
DMRG,vdz,0,trail,VO,-87.0857,0.0,0.0008,-87.08577,2.7300000000000003e-05,-86.4002119655646,,,,,,,
DMRG,vdz,0,trail,TiO,-73.904,0.0,0.0005,-73.90375,6.77e-07,-73.26973605789902,,,,,,,
DMRG,vdz,0,trail,V,-71.077669,0.0,7.2e-05,-71.07767,3.2600000000000003e-07,-70.69525960473436,,,,,,,
DMRG,vdz,0,trail,MnO,-119.8504,0.0,0.0006,-119.85051,1e-05,-119.1332394993054,,,,,,,
DMRG,vtz,1,trail,Sc,-46.211486,0.0,1.1e-05,-46.21149000000001,0.0,-45.85935928101564,,,,,,,
DMRG,vdz,1,trail,Cr,-86.372405,0.0,1.2e-05,-86.37241,4.6e-08,-85.99840800159254,,,,,,,
DMRG,vdz,0,trail,Cr,-86.612042,0.0,3.4e-05,-86.61203,1.24e-07,-86.21795636713652,,,,,,,
DMRG,vdz,0,trail,Ti,-57.883022,0.0,1.5e-05,-57.88305,2.26e-07,-57.52051227493378,,,,,,,
DMRG,vdz,1,trail,Ti,-57.634016,0.0,3e-06,-57.63401999999999,1.1e-08,-57.31379021206569,,,,,,,
DMRG,vtz,0,trail,Ti,-57.95459,0.0,0.000108,-57.95463,3.67e-07,-57.522468837232104,,,,,,,
DMRG,vdz,1,trail,Sc,-46.156828,0.0,1e-06,-46.15683,0.0,-45.85651158235275,,,,,,,
DMRG,vdz,0,trail,Sc,-46.396831,0.0,7.000000000000002e-06,-46.39685,5.4e-08,-46.056720086471316,,,,,,,
DMRG,vtz,1,trail,O,-15.333585,0.0,0.0,-15.33358,0.0,-15.210120374674373,,,,,,,
DMRG,vdz,1,trail,O,-15.300667,0.0,0.0,-15.300670000000002,0.0,-15.209469738930444,,,,,,,
DMRG,vtz,0,trail,O,-15.827025,0.0,0.0,-15.82702,0.0,-15.65178729066239,,,,,,,
DMRG,vtz,1,trail,V,-70.919663,0.0,0.00024,-70.91955,1.62e-07,-70.47870620861032,,,,,,,
DMRG,vtz,1,trail,Cu,-197.1630405,0.0,-5.4e-07,-197.16304,6.5e-07,-196.32520712735686,,,,,,,
DMRG,vtz,0,trail,Cu,-197.444981,0.0,0.0006,-197.44464,4.59e-07,-196.56611793957046,,,,,,,
DMRG,vdz,1,trail,Cu,-196.967207,0.0,5.7e-05,-196.96723,1.474e-06,-196.32402730647453,,,,,,,
DMRG,vdz,0,trail,O,-15.781254999999998,0.0,0.0,-15.78125,0.0,-15.650898615762124,,,,,,,
DMRG,vtz,1,trail,Fe,-123.368586,0.0,0.000539,-123.36857,5.41e-07,-122.80424852863449,,,,,,,
DMRG,vtz,0,trail,Fe,-123.657287,0.0,0.000608,-123.6572,5.71e-07,-123.03857246947872,,,,,,,
DMRG,vdz,1,trail,Fe,-123.23355,0.0,3.3e-05,-123.23354,1.2e-07,-122.79860715251272,,,,,,,
DMRG,vdz,0,trail,Fe,-123.518203,0.0,0.000203,-123.51812,6.459999999999999e-07,-123.03606101031244,,,,,,,
DMRG,vtz,1,trail,Mn,-103.792165,0.0,0.000302,-103.79214,1.99e-07,-103.29880070636771,,,,,,,
DMRG,vtz,0,trail,Mn,-104.064197,0.0,0.00062,-104.06366,9.9e-07,-103.51751723050371,,,,,,,
DMRG,vdz,1,trail,Mn,-103.673388,0.0,3.7e-05,-103.67336,4.2e-08,-103.29335920887651,,,,,,,
DMRG,vdz,0,trail,Mn,-103.942297,0.0,0.00011,-103.94226,4.56e-07,-103.51554736964935,,,,,,,
DMRG,vdz,0,trail,Cu,-197.237343,0.0,0.0006799999999999999,-197.2369,1.152e-06,-196.56440183256336,,,,,,,
DMRG,vtz,0,trail,Sc,-46.452394,0.0,2.2e-05,-46.4523,8.800000000000002e-08,-46.05746799644578,,,,,,,
DMRG,vtz,0,trail,Cr,-86.720776,0.0,9.6e-05,-86.72091999999998,4.48e-07,-86.21884242573502,,,,,,,
DMRG,vtz,1,trail,Cr,-86.472995,0.0,0.000236,-86.47298,2.01e-07,-85.99858355154308,,,,,,,
GF2,vqz,0,trail,Cr,-86.7639,0.0,0.0,-86.76760999999998,0.0,-86.21909581115591,,1000.0,,,,,
GF2,vtz,0,trail,Cr,-86.7149,0.0,0.0,-86.72091999999998,4.48e-07,-86.21884242573502,,1000.0,,,,,
GF2,vdz,0,trail,FeO,-139.3599,0.0,0.0,-139.43599,5.4039999999999986e-06,-138.66009692442393,,1000.0,,,,,one-shot GF2
GF2,vqz,0,trail,FeO,-139.6341,0.0,0.0,-139.7113522,1e-05,-138.6685140260192,,1000.0,,,,,one-shot GF2
GF2,vtz,0,trail,FeO,-139.5486,0.0,0.0,-139.63546000000002,2e-05,-138.667246980313,,1000.0,,,,,one-shot GF2
GF2,vtz,0,trail,MnO,-119.9548,0.0,0.0,-120.02928,2e-05,-119.13957526878391,,1000.0,,,,,one-shot GF2
GF2,vdz,0,trail,Cr,-86.6085,0.0,0.0,-86.61203,1.24e-07,-86.21795636713652,,1000.0,,,,,
GF2,vdz,1,trail,Cr,-86.3658,0.0,0.0,-86.37241,4.6e-08,-85.99840800159254,,1000.0,,,,,
GF2,vdz,1,trail,Fe,-123.23299999999999,0.0,0.0,-123.23354,1.2e-07,-122.79860715251272,,1000.0,,,,,
GF2,vqz,1,trail,Cr,-86.5114,0.0,0.0,-86.51867,1.764e-06,-85.99861621753384,,1000.0,,,,,
GF2,vqz,1,trail,Fe,-123.4256,0.0,0.0,-123.42709,3.122e-06,-122.80506201856676,,1000.0,,,,,
GF2,vtz,1,trail,Fe,-123.3653,0.0,0.0,-123.36857,5.41e-07,-122.80424852863449,,1000.0,,,,,
GF2,vqz,1,trail,V,-70.9418,0.0,0.0,-70.95759,8.42e-07,-70.47878254097698,,1000.0,,,,,
GF2,vqz,0,trail,Fe,-123.7121,0.0,0.0,-123.71675,1.63e-05,-123.03893433543683,,1000.0,,,,,
GF2,vtz,0,trail,Fe,-123.65,0.0,0.0,-123.6572,5.71e-07,-123.03857246947872,,1000.0,,,,,
GF2,vdz,0,trail,Fe,-123.5095,0.0,0.0,-123.51812,6.459999999999999e-07,-123.03606101031244,,1000.0,,,,,
GF2,vqz,1,trail,Mn,-103.8354,0.0,0.0,-103.84272,2.375e-06,-103.29943473113407,,1000.0,,,,,
GF2,vtz,1,trail,Mn,-103.78299999999999,0.0,0.0,-103.79214,1.99e-07,-103.29880070636771,,1000.0,,,,,
GF2,vdz,1,trail,Mn,-103.667,0.0,0.0,-103.67336,4.2e-08,-103.29335920887651,,1000.0,,,,,
GF2,vqz,0,trail,Mn,-104.1029,0.0,0.0,-104.11501,3.37e-06,-103.51774137665831,,1000.0,,,,,
GF2,vtz,0,trail,Mn,-104.04899999999999,0.0,0.0,-104.06366,9.9e-07,-103.51751723050371,,1000.0,,,,,
GF2,vdz,0,trail,Mn,-103.9274,0.0,0.0,-103.94226,4.56e-07,-103.51554736964935,,1000.0,,,,,
GF2,vqz,0,trail,CuO,-213.4158,0.0,0.0,-213.4842442,1e-05,-212.24422133071548,,1000.0,,,,,one-shot GF2
GF2,vtz,0,trail,CuO,-213.2977,0.0,0.0,-213.37778,1.664e-06,-212.24349945673225,,1000.0,,,,,one-shot GF2
GF2,vdz,0,trail,CuO,-213.0604,0.0,0.0,-213.12303,3.599e-06,-212.238829673217,,1000.0,,,,,one-shot GF2
GF2,vtz,1,trail,Cr,-86.4635,0.0,0.0,-86.47298,2.01e-07,-85.99858355154308,,1000.0,,,,,
GF2,vtz,1,trail,V,-70.9006,0.0,0.0,-70.91955,1.62e-07,-70.47870620861032,,1000.0,,,,,
GF2,vqz,0,trail,CrO,-102.6895,0.0,0.0,-102.779756,1e-05,-101.84627163418828,,1000.0,,,,,one-shot GF2
GF2,vqz,0,trail,V,-71.1693,0.0,0.0,-71.20578,1e-05,-70.69711953301085,,1000.0,,,,,
GF2,vdz,0,trail,O,-15.7623,0.0,0.0,-15.78125,0.0,-15.650898615762124,,1000.0,,,,,
GF2,vdz,1,trail,V,-70.8136,0.0,0.0,-70.8284,3.2e-08,-70.47804713713508,,1000.0,,,,,
GF2,vqz,0,trail,O,-15.8199,0.0,0.0,-15.83909,5.31e-06,-15.651914835093455,,1000.0,,,,,
GF2,vtz,1,trail,O,-15.315999999999999,0.0,0.0,-15.33358,0.0,-15.210120374674373,,1000.0,,,,,
GF2,vqz,1,trail,O,-15.3258,0.0,0.0,-15.3421,0.0,-15.210758359146777,,1000.0,,,,,
GF2,vdz,0,trail,ScO,-62.3447,0.0,0.0,-62.42004,9.92e-06,-61.829342751826275,,1000.0,,,,,one-shot GF2
GF2,vtz,0,trail,ScO,-62.4518,0.0,0.0,-62.53013000000001,9.96e-06,-61.83374588456312,,1000.0,,,,,one-shot GF2
GF2,vqz,0,trail,ScO,-62.4933,0.0,0.0,-62.56845381,1e-05,-61.834924297751634,,1000.0,,,,,one-shot GF2
GF2,vdz,0,trail,TiO,-73.8188,0.0,0.0,-73.90375,6.77e-07,-73.26973605789902,,1000.0,,,,,one-shot GF2
GF2,vtz,0,trail,TiO,-73.9413,0.0,0.0,-74.03085,1.99e-05,-73.27527588824228,,1000.0,,,,,one-shot GF2
GF2,vqz,0,trail,TiO,-73.9875,0.0,0.0,-74.07548786,1e-05,-73.27696889209976,,1000.0,,,,,one-shot GF2
GF2,vdz,0,trail,Sc,-46.3631,0.0,0.0,-46.39685,5.4e-08,-46.056720086471316,,1000.0,,,,,
GF2,vtz,0,trail,Sc,-46.4174,0.0,0.0,-46.4523,8.800000000000002e-08,-46.05746799644578,,1000.0,,,,,
GF2,vqz,0,trail,Sc,-46.442,0.0,0.0,-46.474,1.07e-06,-46.057726629346845,,1000.0,,,,,
GF2,vdz,1,trail,Sc,-46.1304,0.0,0.0,-46.15683,0.0,-45.85651158235275,,1000.0,,,,,
GF2,vtz,0,trail,O,-15.8065,0.0,0.0,-15.82702,0.0,-15.65178729066239,,1000.0,,,,,
GF2,vqz,1,trail,Sc,-46.2052,0.0,0.0,-46.23311,9.94e-07,-45.859964744612796,,1000.0,,,,,
GF2,vtz,1,trail,Sc,-46.1814,0.0,0.0,-46.21149000000001,0.0,-45.85935928101564,,1000.0,,,,,
GF2,vtz,0,trail,V,-71.1373,0.0,0.0,-71.16898,1.017e-06,-70.69687058820543,,1000.0,,,,,
GF2,vdz,0,trail,V,-71.047,0.0,0.0,-71.07767,3.2600000000000003e-07,-70.69525960473436,,1000.0,,,,,
GF2,vdz,0,trail,MnO,-119.7833,0.0,0.0,-119.85051,1e-05,-119.1332394993054,,1000.0,,,,,one-shot GF2
GF2,vqz,1,trail,Ti,-57.7306,0.0,0.0,-57.73256,7.33e-07,-57.319727268097715,,1000.0,,,,,
GF2,vtz,1,trail,Ti,-57.7035,0.0,0.0,-57.70424000000001,5.7e-08,-57.318310870851406,,1000.0,,,,,
GF2,vdz,1,trail,Ti,-57.6326,0.0,0.0,-57.63401999999999,1.1e-08,-57.31379021206569,,1000.0,,,,,
GF2,vdz,1,trail,O,-15.2841,0.0,0.0,-15.300670000000002,0.0,-15.209469738930444,,1000.0,,,,,
GF2,vtz,0,trail,Ti,-57.92,0.0,0.0,-57.95463,3.67e-07,-57.522468837232104,,1000.0,,,,,
GF2,vdz,0,trail,Ti,-57.8498,0.0,0.0,-57.88305,2.26e-07,-57.52051227493378,,1000.0,,,,,
GF2,vtz,0,trail,CrO,-102.6235,0.0,0.0,-102.71867,1.99e-05,-101.84420581490784,,1000.0,,,,,one-shot GF2
GF2,vdz,0,trail,CrO,-102.4708,0.0,0.0,-102.55837,2.442e-06,-101.8381354486648,,1000.0,,,,,one-shot GF2
GF2,vqz,0,trail,VO,-87.2045,0.0,0.0,-87.288681736,1e-05,-86.40819514293459,,1000.0,,,,,one-shot GF2
GF2,vtz,0,trail,VO,-87.149,0.0,0.0,-87.23526,2e-05,-86.40670018837703,,1000.0,,,,,one-shot GF2
GF2,vqz,0,trail,Ti,-57.9513,0.0,0.0,-57.983000000000004,2.24e-06,-57.52332478221496,,1000.0,,,,,
GF2,vdz,0,trail,VO,-87.0075,0.0,0.0,-87.08577,2.7300000000000003e-05,-86.4002119655646,,1000.0,,,,,one-shot GF2
HF,vtz,0,trail,CrO,-101.84420581490784,0.0,0.0,-102.71867,1.99e-05,-101.84420581490784,,,,,,,
HF,vtz,0,trail,VO,-86.40670018837703,0.0,0.0,-87.23526,2e-05,-86.40670018837703,,,,,,,
HF,vtz,0,trail,TiO,-73.27527588824228,0.0,0.0,-74.03085,1.99e-05,-73.27527588824228,,,,,,,
HF,vtz,0,trail,ScO,-61.83374588456312,0.0,0.0,-62.53013000000001,9.96e-06,-61.83374588456312,,,,,,,
HF,vdz,0,trail,MnO,-119.1332394993054,0.0,0.0,-119.85051,1e-05,-119.1332394993054,,,,,,,
HF,vdz,0,trail,FeO,-138.66009692442393,0.0,0.0,-139.43599,5.4039999999999986e-06,-138.66009692442393,,,,,,,
HF,vtz,0,trail,MnO,-119.13957526878391,0.0,0.0,-120.02928,2e-05,-119.13957526878391,,,,,,,
HF,vdz,0,trail,CrO,-101.8381354486648,0.0,0.0,-102.55837,2.442e-06,-101.8381354486648,,,,,,,
HF,vdz,0,trail,VO,-86.4002119655646,0.0,0.0,-87.08577,2.7300000000000003e-05,-86.4002119655646,,,,,,,
HF,vdz,0,trail,TiO,-73.26973605789902,0.0,0.0,-73.90375,6.77e-07,-73.26973605789902,,,,,,,
HF,vdz,0,trail,ScO,-61.829342751826275,0.0,0.0,-62.42004,9.92e-06,-61.829342751826275,,,,,,,
HF,vdz,0,trail,CuO,-212.238829673217,0.0,0.0,-213.12303,3.599e-06,-212.238829673217,,,,,,,
HF,vtz,0,trail,FeO,-138.667246980313,0.0,0.0,-139.63546000000002,2e-05,-138.667246980313,,,,,,,
HF,vqz,0,trail,VO,-86.40819514293459,0.0,0.0,-87.288681736,1e-05,-86.40819514293459,,,,,,,
HF,vqz,0,trail,ScO,-61.834924297751634,0.0,0.0,-62.56845381,1e-05,-61.834924297751634,,,,,,,
HF,vqz,0,trail,TiO,-73.27696889209976,0.0,0.0,-74.07548786,1e-05,-73.27696889209976,,,,,,,
HF,vqz,0,trail,CrO,-101.84627163418828,0.0,0.0,-102.779756,1e-05,-101.84627163418828,,,,,,,
HF,vqz,0,trail,MnO,-119.14081170666552,0.0,0.0,-120.09707125940001,1e-05,-119.14081170666552,,,,,,,
HF,vqz,0,trail,FeO,-138.6685140260192,0.0,0.0,-139.7113522,1e-05,-138.6685140260192,,,,,,,
HF,v5z,0,trail,ScO,-61.8350828626785,0.0,0.0,-62.5821409609,1e-05,-61.8350828626785,,,,,,,
HF,v5z,0,trail,TiO,-73.2771786400687,0.0,0.0,-74.09147310520001,1e-05,-73.2771786400687,,,,,,,
HF,v5z,0,trail,VO,-86.40843884648703,0.0,0.0,-87.3073938172,1e-05,-86.40843884648703,,,,,,,
HF,v5z,0,trail,CrO,-101.84668971203637,0.0,0.0,-102.8027368164,1e-05,-101.84668971203637,,,,,,,
HF,v5z,0,trail,MnO,-119.14098759444364,0.0,0.0,-120.1223644293,1e-05,-119.14098759444364,,,,,,,
HF,v5z,0,trail,FeO,-138.66875655750619,0.0,0.0,-139.7416819491,1e-05,-138.66875655750619,,,,,,,
HF,v5z,0,trail,CuO,-212.2443632841544,0.0,0.0,-213.5291282959,1e-05,-212.2443632841544,,,,,,,
HF,vtz,0,trail,CuO,-212.24349945673225,0.0,0.0,-213.37778,1.664e-06,-212.24349945673225,,,,,,,
HF,vqz,0,trail,CuO,-212.24422133071548,0.0,0.0,-213.4842442,1e-05,-212.24422133071548,,,,,,,
HF,vdz,0,trail,O,-15.650898615762124,0.0,0.0,-15.78125,0.0,-15.650898615762124,,,,,,,
HF,v5z,0,trail,Sc,-46.05773792407675,0.0,0.0,-46.48213,0.0,-46.05773792407675,,,,,,,
HF,vqz,1,trail,O,-15.210758359146777,0.0,0.0,-15.3421,0.0,-15.210758359146777,,,,,,,
HF,vqz,0,trail,Sc,-46.057726629346845,0.0,0.0,-46.474,1.07e-06,-46.057726629346845,,,,,,,
HF,vqz,1,trail,Sc,-45.859964744612796,0.0,0.0,-46.23311,9.94e-07,-45.859964744612796,,,,,,,
HF,vqz,0,trail,Ti,-57.52332478221496,0.0,0.0,-57.983000000000004,2.24e-06,-57.52332478221496,,,,,,,
HF,vqz,1,trail,Ti,-57.319727268097715,0.0,0.0,-57.73256,7.33e-07,-57.319727268097715,,,,,,,
HF,vqz,0,trail,V,-70.69711953301085,0.0,0.0,-71.20578,1e-05,-70.69711953301085,,,,,,,
HF,vqz,1,trail,V,-70.47878254097698,0.0,0.0,-70.95759,8.42e-07,-70.47878254097698,,,,,,,
HF,vqz,0,trail,Cr,-86.21909581115591,0.0,0.0,-86.76760999999998,0.0,-86.21909581115591,,,,,,,
HF,vqz,1,trail,Cr,-85.99861621753384,0.0,0.0,-86.51867,1.764e-06,-85.99861621753384,,,,,,,
HF,vqz,0,trail,Mn,-103.51774137665831,0.0,0.0,-104.11501,3.37e-06,-103.51774137665831,,,,,,,
HF,vqz,1,trail,Mn,-103.29943473113407,0.0,0.0,-103.84272,2.375e-06,-103.29943473113407,,,,,,,
HF,vqz,0,trail,Fe,-123.03893433543683,0.0,0.0,-123.71675,1.63e-05,-123.03893433543683,,,,,,,
HF,vqz,1,trail,Fe,-122.80506201856676,0.0,0.0,-123.42709,3.122e-06,-122.80506201856676,,,,,,,
HF,v5z,0,trail,Cu,-196.5663811367177,0.0,0.0,-197.57608,1.068e-06,-196.5663811367177,,,,,,,
HF,vqz,0,trail,Cu,-196.5663491464669,0.0,0.0,-197.53642,1.98e-05,-196.5663491464669,,,,,,,
HF,v5z,0,trail,O,-15.651935198107855,0.0,0.0,-15.84317,0.0,-15.651935198107855,,,,,,,
HF,v5z,1,trail,O,-15.210911583355957,0.0,0.0,-15.34479,0.0,-15.210911583355957,,,,,,,
HF,v5z,1,trail,Sc,-45.86020861913251,0.0,0.0,-46.24115,1.398e-05,-45.86020861913251,,,,,,,
HF,v5z,0,trail,Ti,-57.52335292738408,0.0,0.0,-57.99386,0.0,-57.52335292738408,,,,,,,
HF,v5z,1,trail,Ti,-57.320045716102676,0.0,0.0,-57.74316,0.0,-57.320045716102676,,,,,,,
HF,v5z,0,trail,V,-70.69714489237121,0.0,0.0,-71.21983,0.0,-70.69714489237121,,,,,,,
HF,v5z,1,trail,V,-70.47890119732277,0.0,0.0,-70.97182,0.0,-70.47890119732277,,,,,,,
HF,v5z,0,trail,Cr,-86.21910985180031,0.0,0.0,-86.78532,0.0,-86.21910985180031,,,,,,,
HF,v5z,1,trail,Cr,-85.99871084112391,0.0,0.0,-86.53627,0.0,-85.99871084112391,,,,,,,
HF,v5z,0,trail,Mn,-103.51775094214493,0.0,0.0,-104.13542,4.9e-08,-103.51775094214493,,,,,,,
HF,v5z,1,trail,Mn,-103.29970385074444,0.0,0.0,-103.86284,0.0,-103.29970385074444,,,,,,,
HF,v5z,0,trail,Fe,-123.03901838784545,0.0,0.0,-123.7418,1.98e-07,-123.03901838784545,,,,,,,
HF,v5z,1,trail,Fe,-122.805367259054,0.0,0.0,-123.45183,3e-08,-122.805367259054,,,,,,,
HF,vqz,1,trail,Cu,-196.32534219464927,0.0,0.0,-197.25343,3.012e-06,-196.32534219464927,,,,,,,
HF,vqz,0,trail,O,-15.651914835093455,0.0,0.0,-15.83909,5.31e-06,-15.651914835093455,,,,,,,
HF,v5z,1,trail,Cu,-196.3253458468569,0.0,0.0,-197.29251,3.86e-07,-196.3253458468569,,,,,,,
HF,vtz,0,trail,Cu,-196.56611793957046,0.0,0.0,-197.44464,4.59e-07,-196.56611793957046,,,,,,,
HF,vtz,0,trail,V,-70.69687058820543,0.0,0.0,-71.16898,1.017e-06,-70.69687058820543,,,,,,,
HF,vtz,1,trail,Ti,-57.318310870851406,0.0,0.0,-57.70424000000001,5.7e-08,-57.318310870851406,,,,,,,
HF,vtz,0,trail,Ti,-57.522468837232104,0.0,0.0,-57.95463,3.67e-07,-57.522468837232104,,,,,,,
HF,vtz,1,trail,Sc,-45.85935928101564,0.0,0.0,-46.21149000000001,0.0,-45.85935928101564,,,,,,,
HF,vtz,0,trail,Sc,-46.05746799644578,0.0,0.0,-46.4523,8.800000000000002e-08,-46.05746799644578,,,,,,,
HF,vtz,1,trail,O,-15.210120374674373,0.0,0.0,-15.33358,0.0,-15.210120374674373,,,,,,,
HF,vtz,0,trail,O,-15.65178729066239,0.0,0.0,-15.82702,0.0,-15.65178729066239,,,,,,,
HF,vdz,1,trail,Cu,-196.32402730647453,0.0,0.0,-196.96723,1.474e-06,-196.32402730647453,,,,,,,
HF,vdz,0,trail,Cu,-196.56440183256336,0.0,0.0,-197.2369,1.152e-06,-196.56440183256336,,,,,,,
HF,vdz,1,trail,Fe,-122.79860715251272,0.0,0.0,-123.23354,1.2e-07,-122.79860715251272,,,,,,,
HF,vtz,1,trail,V,-70.47870620861032,0.0,0.0,-70.91955,1.62e-07,-70.47870620861032,,,,,,,
HF,vdz,0,trail,Fe,-123.03606101031244,0.0,0.0,-123.51812,6.459999999999999e-07,-123.03606101031244,,,,,,,
HF,vdz,0,trail,Mn,-103.51554736964935,0.0,0.0,-103.94226,4.56e-07,-103.51554736964935,,,,,,,
HF,vdz,1,trail,Cr,-85.99840800159254,0.0,0.0,-86.37241,4.6e-08,-85.99840800159254,,,,,,,
HF,vdz,0,trail,Cr,-86.21795636713652,0.0,0.0,-86.61203,1.24e-07,-86.21795636713652,,,,,,,
HF,vdz,1,trail,V,-70.47804713713508,0.0,0.0,-70.8284,3.2e-08,-70.47804713713508,,,,,,,
HF,vdz,0,trail,V,-70.69525960473436,0.0,0.0,-71.07767,3.2600000000000003e-07,-70.69525960473436,,,,,,,
HF,vdz,1,trail,Ti,-57.31379021206569,0.0,0.0,-57.63401999999999,1.1e-08,-57.31379021206569,,,,,,,
HF,vdz,0,trail,Ti,-57.52051227493378,0.0,0.0,-57.88305,2.26e-07,-57.52051227493378,,,,,,,
HF,vdz,1,trail,Sc,-45.85651158235275,0.0,0.0,-46.15683,0.0,-45.85651158235275,,,,,,,
HF,vdz,0,trail,Sc,-46.056720086471316,0.0,0.0,-46.39685,5.4e-08,-46.056720086471316,,,,,,,
HF,vdz,1,trail,O,-15.209469738930444,0.0,0.0,-15.300670000000002,0.0,-15.209469738930444,,,,,,,
HF,vdz,1,trail,Mn,-103.29335920887651,0.0,0.0,-103.67336,4.2e-08,-103.29335920887651,,,,,,,
HF,vtz,0,trail,Cr,-86.21884242573502,0.0,0.0,-86.72091999999998,4.48e-07,-86.21884242573502,,,,,,,
HF,vtz,1,trail,Cr,-85.99858355154308,0.0,0.0,-86.47298,2.01e-07,-85.99858355154308,,,,,,,
HF,vtz,0,trail,Mn,-103.51751723050371,0.0,0.0,-104.06366,9.9e-07,-103.51751723050371,,,,,,,
HF,vtz,1,trail,Mn,-103.29880070636771,0.0,0.0,-103.79214,1.99e-07,-103.29880070636771,,,,,,,
HF,vtz,0,trail,Fe,-123.03857246947872,0.0,0.0,-123.6572,5.71e-07,-123.03857246947872,,,,,,,
HF,vtz,1,trail,Fe,-122.80424852863449,0.0,0.0,-123.36857,5.41e-07,-122.80424852863449,,,,,,,
HF,vtz,1,trail,Cu,-196.32520712735686,0.0,0.0,-197.16304,6.5e-07,-196.32520712735686,,,,,,,
HF+RPA,vtz,1,trail,Cu,-197.258602,0.0,0.0,-197.16304,6.5e-07,-196.32520712735686,,,,,,,
HF+RPA,vtz,0,trail,Cu,-197.536254,0.0,0.0,-197.44464,4.59e-07,-196.56611793957046,,,,,,,
HF+RPA,vtz,1,trail,Fe,-123.462569,0.0,0.0,-123.36857,5.41e-07,-122.80424852863449,,,,,,,
HF+RPA,vtz,0,trail,Fe,-123.73731399999998,0.0,0.0,-123.6572,5.71e-07,-123.03857246947872,,,,,,,
HF+RPA,vdz,0,trail,Fe,-123.56198899999998,0.0,0.0,-123.51812,6.459999999999999e-07,-123.03606101031244,,,,,,,
HF+RPA,vtz,1,trail,Mn,-103.879906,0.0,0.0,-103.79214,1.99e-07,-103.29880070636771,,,,,,,
HF+RPA,vtz,0,trail,Mn,-104.1377,0.0,0.0,-104.06366,9.9e-07,-103.51751723050371,,,,,,,
HF+RPA,vtz,1,trail,Cr,-86.55025699999999,0.0,0.0,-86.47298,2.01e-07,-85.99858355154308,,,,,,,
HF+RPA,vtz,1,trail,V,-70.981273,0.0,0.0,-70.91955,1.62e-07,-70.47870620861032,,,,,,,
HF+RPA,vtz,1,trail,Ti,-57.765842000000006,0.0,0.0,-57.70424000000001,5.7e-08,-57.318310870851406,,,,,,,
HF+RPA,vtz,0,trail,Ti,-58.003366,0.0,0.0,-57.95463,3.67e-07,-57.522468837232104,,,,,,,
HF+RPA,vtz,1,trail,Sc,-46.25894,0.0,0.0,-46.21149000000001,0.0,-45.85935928101564,,,,,,,
HF+RPA,vtz,0,trail,Sc,-46.488715,0.0,0.0,-46.4523,8.800000000000002e-08,-46.05746799644578,,,,,,,
HF+RPA,vqz,1,trail,O,-15.390197,0.0,0.0,-15.3421,0.0,-15.210758359146777,,,,,,,
HF+RPA,vtz,1,trail,O,-15.369825,0.0,0.0,-15.33358,0.0,-15.210120374674373,,,,,,,
HF+RPA,vdz,1,trail,O,-15.317734,0.0,0.0,-15.300670000000002,0.0,-15.209469738930444,,,,,,,
HF+RPA,vqz,0,trail,O,-15.8882,0.0,0.0,-15.83909,5.31e-06,-15.651914835093455,,,,,,,
HF+RPA,vtz,0,trail,O,-15.86363,0.0,0.0,-15.82702,0.0,-15.65178729066239,,,,,,,
HF+RPA,vdz,0,trail,O,-15.799682,0.0,0.0,-15.78125,0.0,-15.650898615762124,,,,,,,
HF+RPA,vtz,0,trail,V,-71.225842,0.0,0.0,-71.16898,1.017e-06,-70.69687058820543,,,,,,,
HF+RPA,vtz,0,trail,Cr,-86.800833,0.0,0.0,-86.72091999999998,4.48e-07,-86.21884242573502,,,,,,,
HF+RPA,vtz,0,trail,ScO,-62.569211,0.0,0.0,-62.53013000000001,9.96e-06,-61.83374588456312,,,,,,,
HF+RPA,vtz,0,trail,FeO,-139.68375,0.0,0.0,-139.63546000000002,2e-05,-138.667246980313,,,,,,,
HF+RPA,vtz,0,trail,MnO,-120.08106,0.0,0.0,-120.02928,2e-05,-119.13957526878391,,,,,,,
HF+RPA,vtz,0,trail,CrO,-102.74659,0.0,0.0,-102.71867,1.99e-05,-101.84420581490784,,,,,,,
HF+RPA,vtz,0,trail,VO,-87.270165,0.0,0.0,-87.23526,2e-05,-86.40670018837703,,,,,,,
HF+RPA,vtz,0,trail,TiO,-74.073131,0.0,0.0,-74.03085,1.99e-05,-73.27527588824228,,,,,,,
HSE06,cbs,0,trail,CrO,-102.77847242279614,0.0,0.0,-102.82674546839144,0.0,-101.8470259825963,,,,,,,
HSE06,cbs,0,trail,Cu,-197.63132308235083,0.0,0.0,-197.61766150093345,0.0,-196.5663857093897,,,,,,,
HSE06,cbs,0,trail,CuO,-213.57354479495757,0.0,0.0,-213.5760822922472,0.0,-212.2443747048047,,,,,,,
HSE06,cbs,0,trail,Fe,-123.76358769186938,0.0,0.0,-123.76799269977768,0.0,-123.03901730654364,,,,,,,
HSE06,cbs,0,trail,FeO,-139.7468652191535,0.0,0.0,-139.77329254270236,0.0,-138.6688002342686,,,,,,,
HSE06,cbs,0,trail,Mn,-104.1375684545532,0.0,0.0,-104.15683288610128,0.0,-103.5177600936748,,,,,,,
HSE06,cbs,0,trail,Sc,-46.428582370839955,0.0,0.0,-46.49069148197452,0.0,-46.05778142019411,,,,,,,
HSE06,cbs,0,trail,O,-15.843264144022884,0.0,0.0,-15.84743170708123,0.0,-15.651937613925504,,,,,,,
HSE06,cbs,0,trail,VO,-87.26312413555902,0.0,0.0,-87.32689060024185,0.0,-86.4085589710134,,,,,,,
HSE06,cbs,0,trail,ScO,-62.522162646364606,0.0,0.0,-62.59646590077432,0.0,-61.83521387628593,,,,,,,
HSE06,cbs,0,trail,Ti,-57.947276847453956,0.0,0.0,-58.005411399250676,0.0,-57.52353975763188,,,,,,,
HSE06,cbs,0,trail,TiO,-74.04615459240726,0.0,0.0,-74.10825849037565,0.0,-73.27741268388714,,,,,,,
HSE06,cbs,0,trail,V,-71.18909236894304,0.0,0.0,-71.23455541725886,0.0,-70.69715593256555,,,,,,,
HSE06,cbs,0,trail,MnO,-120.11131735604842,0.0,0.0,-120.14879091266157,0.0,-119.1410615195134,,,,,,,
HSE06,cbs,0,trail,Cr,-86.80558890701151,0.0,0.0,-86.803920071058,0.0,-86.21914367041965,,,,,,,
HSE06,cbs,1,trail,Cr,-86.54606536985868,0.0,0.0,-86.55468488529472,0.0,-85.99875942985739,,,,,,,
HSE06,cbs,1,trail,Ti,-57.705979455822344,0.0,0.0,-57.754145946506405,0.0,-57.32024446051594,,,,,,,
HSE06,cbs,1,trail,Cu,-197.33844317001342,0.0,0.0,-197.3335144795703,0.0,-196.32535219103852,,,,,,,
HSE06,cbs,1,trail,Fe,-123.48517938494295,0.0,0.0,-123.4774306495826,0.0,-122.80533143963957,,,,,,,
HSE06,cbs,1,trail,Mn,-103.87956965524711,0.0,0.0,-103.88361082582092,0.0,-103.2996475233697,,,,,,,
HSE06,cbs,1,trail,O,-15.336636090192874,0.0,0.0,-15.348000500825664,0.0,-15.21146054892568,,,,,,,
HSE06,cbs,1,trail,Sc,-46.1953132812065,0.0,0.0,-46.2493458862109,0.0,-45.860224963855885,,,,,,,
HSE06,cbs,1,trail,V,-70.96099688381662,0.0,0.0,-70.98633341776896,0.0,-70.47860927092995,,,,,,,
HSE06+RPA,vtz,0,trail,MnO,-120.30074,0.0,0.0,-120.02928,2e-05,-119.13957526878391,,,,,,,
HSE06+RPA,vtz,1,trail,Sc,-46.355871,0.0,0.0,-46.21149000000001,0.0,-45.85935928101564,,,,,,,
HSE06+RPA,vtz,0,trail,Sc,-46.600929,0.0,0.0,-46.4523,8.800000000000002e-08,-46.05746799644578,,,,,,,
HSE06+RPA,vtz,1,trail,O,-15.404857000000002,0.0,0.0,-15.33358,0.0,-15.210120374674373,,,,,,,
HSE06+RPA,vdz,1,trail,O,-15.346116,0.0,0.0,-15.300670000000002,0.0,-15.209469738930444,,,,,,,
HSE06+RPA,vqz,0,trail,O,-15.937955,0.0,0.0,-15.83909,5.31e-06,-15.651914835093455,,,,,,,
HSE06+RPA,vtz,0,trail,O,-15.911312,0.0,0.0,-15.82702,0.0,-15.65178729066239,,,,,,,
HSE06+RPA,vqz,1,trail,O,-15.427079999999998,0.0,0.0,-15.3421,0.0,-15.210758359146777,,,,,,,
HSE06+RPA,vtz,0,trail,Mn,-104.258634,0.0,0.0,-104.06366,9.9e-07,-103.51751723050371,,,,,,,
HSE06+RPA,vtz,1,trail,Cu,-197.393413,0.0,0.0,-197.16304,6.5e-07,-196.32520712735686,,,,,,,
HSE06+RPA,vtz,0,trail,FeO,-139.92199,0.0,0.0,-139.63546000000002,2e-05,-138.667246980313,,,,,,,
HSE06+RPA,vtz,0,trail,ScO,-62.754101,0.0,0.0,-62.53013000000001,9.96e-06,-61.83374588456312,,,,,,,
HSE06+RPA,vtz,0,trail,TiO,-74.218769,0.0,0.0,-74.03085,1.99e-05,-73.27527588824228,,,,,,,
HSE06+RPA,vtz,0,trail,VO,-87.487966,0.0,0.0,-87.23526,2e-05,-86.40670018837703,,,,,,,
HSE06+RPA,vtz,0,trail,CrO,-102.98051,0.0,0.0,-102.71867,1.99e-05,-101.84420581490784,,,,,,,
HSE06+RPA,vdz,0,trail,O,-15.83867,0.0,0.0,-15.78125,0.0,-15.650898615762124,,,,,,,
HSE06+RPA,vtz,1,trail,Ti,-57.867065,0.0,0.0,-57.70424000000001,5.7e-08,-57.318310870851406,,,,,,,
HSE06+RPA,vtz,0,trail,Ti,-58.122473,0.0,0.0,-57.95463,3.67e-07,-57.522468837232104,,,,,,,
HSE06+RPA,vtz,0,trail,Cu,-197.688241,0.0,0.0,-197.44464,4.59e-07,-196.56611793957046,,,,,,,
HSE06+RPA,vdz,0,trail,Fe,-123.670889,0.0,0.0,-123.51812,6.459999999999999e-07,-123.03606101031244,,,,,,,
HSE06+RPA,vtz,1,trail,V,-71.085952,0.0,0.0,-70.91955,1.62e-07,-70.47870620861032,,,,,,,
HSE06+RPA,vtz,1,trail,Cr,-86.65028000000002,0.0,0.0,-86.47298,2.01e-07,-85.99858355154308,,,,,,,
HSE06+RPA,vtz,1,trail,Mn,-103.982218,0.0,0.0,-103.79214,1.99e-07,-103.29880070636771,,,,,,,
HSE06+RPA,vtz,0,trail,Cr,-86.91595600000002,0.0,0.0,-86.72091999999998,4.48e-07,-86.21884242573502,,,,,,,
HSE06+RPA,vtz,1,trail,Fe,-123.575007,0.0,0.0,-123.36857,5.41e-07,-122.80424852863449,,,,,,,
HSE06+RPA,vtz,0,trail,Fe,-123.868423,0.0,0.0,-123.6572,5.71e-07,-123.03857246947872,,,,,,,
HSE06+RPA,vtz,0,trail,V,-71.345463,0.0,0.0,-71.16898,1.017e-06,-70.69687058820543,,,,,,,
LDA,cbs,1,trail,Mn,-103.6370423110408,0.0,0.0,-103.88361082582092,0.0,-103.2996475233697,,,,,,,
LDA,cbs,1,trail,Sc,-46.03973933051704,0.0,0.0,-46.2493458862109,0.0,-45.860224963855885,,,,,,,
LDA,cbs,1,trail,Ti,-57.540281066624935,0.0,0.0,-57.754145946506405,0.0,-57.32024446051594,,,,,,,
LDA,cbs,1,trail,Fe,-123.21492656845093,0.0,0.0,-123.4774306495826,0.0,-122.80533143963957,,,,,,,
LDA,cbs,1,trail,Cu,-197.0281480622233,0.0,0.0,-197.3335144795703,0.0,-196.32535219103852,,,,,,,
LDA,cbs,1,trail,Cr,-86.33129505298616,0.0,0.0,-86.55468488529472,0.0,-85.99875942985739,,,,,,,
LDA,cbs,0,trail,Cr,-86.610051889753,0.0,0.0,-86.803920071058,0.0,-86.21914367041965,,,,,,,
LDA,cbs,0,trail,CrO,-102.56602418492963,0.0,0.0,-102.82674546839144,0.0,-101.8470259825963,,,,,,,
LDA,cbs,0,trail,Cu,-197.34390979246135,0.0,0.0,-197.61766150093345,0.0,-196.5663857093897,,,,,,,
LDA,cbs,0,trail,CuO,-213.23862202708028,0.0,0.0,-213.5760822922472,0.0,-212.2443747048047,,,,,,,
LDA,cbs,0,trail,Fe,-123.51800864676905,0.0,0.0,-123.76799269977768,0.0,-123.03901730654364,,,,,,,
LDA,cbs,0,trail,VO,-87.07583339183455,0.0,0.0,-87.32689060024185,0.0,-86.4085589710134,,,,,,,
LDA,cbs,1,trail,O,-15.238333839803571,0.0,0.0,-15.348000500825664,0.0,-15.21146054892568,,,,,,,
LDA,cbs,1,trail,V,-70.7686561592018,0.0,0.0,-70.98633341776896,0.0,-70.47860927092995,,,,,,,
LDA,cbs,0,trail,FeO,-139.49148830963492,0.0,0.0,-139.77329254270236,0.0,-138.6688002342686,,,,,,,
LDA,cbs,0,trail,TiO,-73.81357164829119,0.0,0.0,-74.10825849037565,0.0,-73.27741268388714,,,,,,,
LDA,cbs,0,trail,Ti,-57.78593728792673,0.0,0.0,-58.005411399250676,0.0,-57.52353975763188,,,,,,,
LDA,cbs,0,trail,ScO,-62.352612655999934,0.0,0.0,-62.59646590077432,0.0,-61.83521387628593,,,,,,,
LDA,cbs,0,trail,Sc,-46.284002898639365,0.0,0.0,-46.49069148197452,0.0,-46.05778142019411,,,,,,,
LDA,cbs,0,trail,O,-15.741645732421718,0.0,0.0,-15.84743170708123,0.0,-15.651937613925504,,,,,,,
LDA,cbs,0,trail,MnO,-119.87227068352855,0.0,0.0,-120.14879091266157,0.0,-119.1410615195134,,,,,,,
LDA,cbs,0,trail,V,-71.00254786890456,0.0,0.0,-71.23455541725886,0.0,-70.69715593256555,,,,,,,
LDA,cbs,0,trail,Mn,-103.91224500401869,0.0,0.0,-104.15683288610128,0.0,-103.5177600936748,,,,,,,
MRLCC,vqz,0,trail,ScO,-62.553463226000005,0.0,0.0,-62.56845381,1e-05,-61.834924297751634,,,,,,,
MRLCC,vqz,0,trail,CrO,-102.765046211,0.0,0.0,-102.779756,1e-05,-101.84627163418828,,,,,,,
MRLCC,vtz,0,trail,VO,-87.22576619,0.0,0.0,-87.23526,2e-05,-86.40670018837703,,,,,,,
MRLCC,vtz,0,trail,TiO,-74.019929073,0.0,0.0,-74.03085,1.99e-05,-73.27527588824228,,,,,,,
MRLCC,vqz,0,trail,FeO,-139.667352803,0.0,0.0,-139.7113522,1e-05,-138.6685140260192,,,,,,,
MRLCC,vqz,0,trail,CuO,-213.433422711,0.0,0.0,-213.4842442,1e-05,-212.24422133071548,,,,,,,
MRLCC,vtz,0,trail,CuO,-213.33001723200002,0.0,0.0,-213.37778,1.664e-06,-212.24349945673225,,,,,,,
MRLCC,vtz,0,trail,ScO,-62.516193378000004,0.0,0.0,-62.53013000000001,9.96e-06,-61.83374588456312,,,,,,,
MRLCC,vdz,0,trail,MnO,-119.826143288,0.0,0.0,-119.85051,1e-05,-119.1332394993054,,,,,,,
MRLCC,vtz,0,trail,MnO,-119.99907258299999,0.0,0.0,-120.02928,2e-05,-119.13957526878391,,,,,,,
MRLCC,vtz,0,trail,FeO,-139.593470818,0.0,0.0,-139.63546000000002,2e-05,-138.667246980313,,,,,,,
MRLCC,vqz,0,trail,TiO,-74.063831238,0.0,0.0,-74.07548786,1e-05,-73.27696889209976,,,,,,,
MRLCC,vdz,0,trail,VO,-87.079883646,0.0,0.0,-87.08577,2.7300000000000003e-05,-86.4002119655646,,,,,,,
MRLCC,vqz,0,trail,MnO,-120.065540502,0.0,0.0,-120.09707125940001,1e-05,-119.14081170666552,,,,,,,
MRLCC,vdz,0,trail,TiO,-73.894893796,0.0,0.0,-73.90375,6.77e-07,-73.26973605789902,,,,,,,
MRLCC,vdz,0,trail,ScO,-62.414762248,0.0,0.0,-62.42004,9.92e-06,-61.829342751826275,,,,,,,
MRLCC,vdz,0,trail,CuO,-213.08683024299998,0.0,0.0,-213.12303,3.599e-06,-212.238829673217,,,,,,,
MRLCC,vdz,0,trail,FeO,-139.42196636100002,0.0,0.0,-139.43599,5.4039999999999986e-06,-138.66009692442393,,,,,,,
MRLCC,vdz,0,trail,CrO,-102.545348564,0.0,0.0,-102.55837,2.442e-06,-101.8381354486648,,,,,,,
MRLCC,vtz,0,trail,CrO,-102.701894369,0.0,0.0,-102.71867,1.99e-05,-101.84420581490784,,,,,,,
MRLCC,vdz,0,trail,Sc,-46.39832119800001,0.0,0.0,-46.39685,5.4e-08,-46.056720086471316,,,,,,,
MRLCC,vdz,1,trail,Cr,-86.377781415,0.0,0.0,-86.37241,4.6e-08,-85.99840800159254,,,,,,,
MRLCC,vqz,0,trail,Cr,-86.765660201,0.0,0.0,-86.76760999999998,0.0,-86.21909581115591,,,,,,,
MRLCC,vqz,1,trail,Cr,-86.518592933,0.0,0.0,-86.51867,1.764e-06,-85.99861621753384,,,,,,,
MRLCC,vqz,0,trail,Cu,-197.50265514,0.0,0.0,-197.53642,1.98e-05,-196.5663491464669,,,,,,,
MRLCC,vqz,1,trail,Cu,-197.24136462,0.0,0.0,-197.25343,3.012e-06,-196.32534219464927,,,,,,,
MRLCC,vqz,0,trail,Fe,-123.705839862,0.0,0.0,-123.71675,1.63e-05,-123.03893433543683,,,,,,,
MRLCC,vqz,1,trail,Fe,-123.424783511,0.0,0.0,-123.42709,3.122e-06,-122.80506201856676,,,,,,,
MRLCC,vqz,0,trail,Mn,-104.110439775,0.0,0.0,-104.11501,3.37e-06,-103.51774137665831,,,,,,,
MRLCC,vqz,1,trail,Mn,-103.84405506700001,0.0,0.0,-103.84272,2.375e-06,-103.29943473113407,,,,,,,
MRLCC,vqz,0,trail,O,-15.836194781,0.0,0.0,-15.83909,5.31e-06,-15.651914835093455,,,,,,,
MRLCC,vqz,1,trail,O,-15.34132657,0.0,0.0,-15.3421,0.0,-15.210758359146777,,,,,,,
MRLCC,vqz,0,trail,Sc,-46.474909345,0.0,0.0,-46.474,1.07e-06,-46.057726629346845,,,,,,,
MRLCC,vqz,1,trail,Sc,-46.233438056000004,0.0,0.0,-46.23311,9.94e-07,-45.859964744612796,,,,,,,
MRLCC,vqz,0,trail,Ti,-57.984229468,0.0,0.0,-57.983000000000004,2.24e-06,-57.52332478221496,,,,,,,
MRLCC,vqz,1,trail,Ti,-57.732624595,0.0,0.0,-57.73256,7.33e-07,-57.319727268097715,,,,,,,
MRLCC,vqz,0,trail,V,-71.207771193,0.0,0.0,-71.20578,1e-05,-70.69711953301085,,,,,,,
MRLCC,vqz,1,trail,V,-70.94652535899999,0.0,0.0,-70.95759,8.42e-07,-70.47878254097698,,,,,,,
MRLCC,v5z,0,trail,Cr,-86.783438734,0.0,0.0,-86.78532,0.0,-86.21910985180031,,,,,,,
MRLCC,v5z,1,trail,Cr,-86.53618996,0.0,0.0,-86.53627,0.0,-85.99871084112391,,,,,,,
MRLCC,v5z,0,trail,Cu,-197.541898608,0.0,0.0,-197.57608,1.068e-06,-196.5663811367177,,,,,,,
MRLCC,v5z,1,trail,Cu,-197.28295335599998,0.0,0.0,-197.29251,3.86e-07,-196.3253458468569,,,,,,,
MRLCC,v5z,0,trail,Fe,-123.732219065,0.0,0.0,-123.7418,1.98e-07,-123.03901838784545,,,,,,,
MRLCC,v5z,1,trail,Fe,-123.449740586,0.0,0.0,-123.45183,3e-08,-122.805367259054,,,,,,,
MRLCC,v5z,0,trail,Mn,-104.130164475,0.0,0.0,-104.13542,4.9e-08,-103.51775094214493,,,,,,,
MRLCC,v5z,1,trail,Mn,-103.86435242,0.0,0.0,-103.86284,0.0,-103.29970385074444,,,,,,,
MRLCC,v5z,0,trail,O,-15.840280347,0.0,0.0,-15.84317,0.0,-15.651935198107855,,,,,,,
MRLCC,vtz,1,trail,V,-70.918767525,0.0,0.0,-70.91955,1.62e-07,-70.47870620861032,,,,,,,
MRLCC,vdz,0,trail,Cr,-86.612797246,0.0,0.0,-86.61203,1.24e-07,-86.21795636713652,,,,,,,
MRLCC,vtz,0,trail,V,-71.170724652,0.0,0.0,-71.16898,1.017e-06,-70.69687058820543,,,,,,,
MRLCC,vtz,0,trail,Ti,-57.955622115,0.0,0.0,-57.95463,3.67e-07,-57.522468837232104,,,,,,,
MRLCC,vdz,0,trail,Cu,-197.214542265,0.0,0.0,-197.2369,1.152e-06,-196.56440183256336,,,,,,,
MRLCC,vdz,1,trail,Cu,-196.945798696,0.0,0.0,-196.96723,1.474e-06,-196.32402730647453,,,,,,,
MRLCC,vdz,0,trail,Fe,-123.509890306,0.0,0.0,-123.51812,6.459999999999999e-07,-123.03606101031244,,,,,,,
MRLCC,vdz,1,trail,Fe,-123.233322018,0.0,0.0,-123.23354,1.2e-07,-122.79860715251272,,,,,,,
MRLCC,vdz,0,trail,Mn,-103.93947031,0.0,0.0,-103.94226,4.56e-07,-103.51554736964935,,,,,,,
MRLCC,vdz,1,trail,Mn,-103.67513248799999,0.0,0.0,-103.67336,4.2e-08,-103.29335920887651,,,,,,,
MRLCC,vdz,0,trail,O,-15.779122209,0.0,0.0,-15.78125,0.0,-15.650898615762124,,,,,,,
MRLCC,vdz,1,trail,O,-15.301044405999999,0.0,0.0,-15.300670000000002,0.0,-15.209469738930444,,,,,,,
MRLCC,vdz,1,trail,Sc,-46.157680535,0.0,0.0,-46.15683,0.0,-45.85651158235275,,,,,,,
MRLCC,vdz,0,trail,Ti,-57.885258515,0.0,0.0,-57.88305,2.26e-07,-57.52051227493378,,,,,,,
MRLCC,vdz,1,trail,Ti,-57.63424725,0.0,0.0,-57.63401999999999,1.1e-08,-57.31379021206569,,,,,,,
MRLCC,vdz,0,trail,V,-71.080991954,0.0,0.0,-71.07767,3.2600000000000003e-07,-70.69525960473436,,,,,,,
MRLCC,vdz,1,trail,V,-70.828355202,0.0,0.0,-70.8284,3.2e-08,-70.47804713713508,,,,,,,
MRLCC,vtz,0,trail,Cr,-86.719277033,0.0,0.0,-86.72091999999998,4.48e-07,-86.21884242573502,,,,,,,
MRLCC,vtz,1,trail,Cr,-86.472980485,0.0,0.0,-86.47298,2.01e-07,-85.99858355154308,,,,,,,
MRLCC,vtz,0,trail,Cu,-197.412524745,0.0,0.0,-197.44464,4.59e-07,-196.56611793957046,,,,,,,
MRLCC,vtz,1,trail,Cu,-197.152173853,0.0,0.0,-197.16304,6.5e-07,-196.32520712735686,,,,,,,
MRLCC,vtz,0,trail,Fe,-123.64624452700001,0.0,0.0,-123.6572,5.71e-07,-123.03857246947872,,,,,,,
MRLCC,vtz,1,trail,Fe,-123.366126202,0.0,0.0,-123.36857,5.41e-07,-122.80424852863449,,,,,,,
MRLCC,vtz,0,trail,Mn,-104.057800585,0.0,0.0,-104.06366,9.9e-07,-103.51751723050371,,,,,,,
MRLCC,vtz,1,trail,Mn,-103.793146436,0.0,0.0,-103.79214,1.99e-07,-103.29880070636771,,,,,,,
MRLCC,vtz,0,trail,O,-15.824177697,0.0,0.0,-15.82702,0.0,-15.65178729066239,,,,,,,
MRLCC,vtz,1,trail,O,-15.333140599000002,0.0,0.0,-15.33358,0.0,-15.210120374674373,,,,,,,
MRLCC,vtz,0,trail,Sc,-46.453192261999995,0.0,0.0,-46.4523,8.800000000000002e-08,-46.05746799644578,,,,,,,
MRLCC,vtz,1,trail,Sc,-46.211854035,0.0,0.0,-46.21149000000001,0.0,-45.85935928101564,,,,,,,
MRLCC,vtz,1,trail,Ti,-57.704385341999995,0.0,0.0,-57.70424000000001,5.7e-08,-57.318310870851406,,,,,,,
MRLCC,vqz,0,trail,VO,-87.277880455,0.0,0.0,-87.288681736,1e-05,-86.40819514293459,,,,,,,
MRLCC,v5z,0,trail,Sc,-46.483092573,0.0,0.0,-46.48213,0.0,-46.05773792407675,,,,,,,
MRLCC,v5z,0,trail,CrO,-102.799063754,0.0,0.0,-102.8027368164,1e-05,-101.84668971203637,,,,,,,
MRLCC,v5z,1,trail,O,-15.343912748,0.0,0.0,-15.34479,0.0,-15.210911583355957,,,,,,,
MRLCC,v5z,1,trail,Sc,-46.241591061,0.0,0.0,-46.24115,1.398e-05,-45.86020861913251,,,,,,,
MRLCC,v5z,0,trail,CuO,-213.476835182,0.0,0.0,-213.5291282959,1e-05,-212.2443632841544,,,,,,,
MRLCC,v5z,0,trail,Ti,-57.994916918,0.0,0.0,-57.99386,0.0,-57.52335292738408,,,,,,,
MRLCC,v5z,0,trail,FeO,-139.697081346,0.0,0.0,-139.7416819491,1e-05,-138.66875655750619,,,,,,,
MRLCC,v5z,0,trail,VO,-87.29626903399998,0.0,0.0,-87.3073938172,1e-05,-86.40843884648703,,,,,,,
MRLCC,v5z,1,trail,Ti,-57.743305291000006,0.0,0.0,-57.74316,0.0,-57.320045716102676,,,,,,,
MRLCC,v5z,0,trail,TiO,-74.07961279199999,0.0,0.0,-74.09147310520001,1e-05,-73.2771786400687,,,,,,,
MRLCC,v5z,0,trail,MnO,-120.090771442,0.0,0.0,-120.1223644293,1e-05,-119.14098759444364,,,,,,,
MRLCC,v5z,0,trail,V,-71.222518934,0.0,0.0,-71.21983,0.0,-70.69714489237121,,,,,,,
MRLCC,v5z,1,trail,V,-70.970762704,0.0,0.0,-70.97182,0.0,-70.47890119732277,,,,,,,
MRLCC,v5z,0,trail,ScO,-62.56650735,0.0,0.0,-62.5821409609,1e-05,-61.8350828626785,,,,,,,
PBE,cbs,1,trail,Fe,-123.50930458176195,0.0,0.0,-123.4774306495826,0.0,-122.80533143963957,,,,,,,
PBE,cbs,1,trail,Mn,-103.89222724190635,0.0,0.0,-103.88361082582092,0.0,-103.2996475233697,,,,,,,
PBE,cbs,1,trail,O,-15.332169908482854,0.0,0.0,-15.348000500825664,0.0,-15.21146054892568,,,,,,,
PBE,cbs,1,trail,Sc,-46.185280100524274,0.0,0.0,-46.2493458862109,0.0,-45.860224963855885,,,,,,,
PBE,cbs,1,trail,Ti,-57.723119358754204,0.0,0.0,-57.754145946506405,0.0,-57.32024446051594,,,,,,,
PBE,cbs,1,trail,V,-70.94696155967384,0.0,0.0,-70.98633341776896,0.0,-70.47860927092995,,,,,,,
PBE,cbs,1,trail,Cu,-197.40146905481197,0.0,0.0,-197.3335144795703,0.0,-196.32535219103852,,,,,,,
PBE,cbs,1,trail,Cr,-86.5593034575481,0.0,0.0,-86.55468488529472,0.0,-85.99875942985739,,,,,,,
PBE,cbs,0,trail,TiO,-74.09083313400996,0.0,0.0,-74.10825849037565,0.0,-73.27741268388714,,,,,,,
PBE,cbs,0,trail,V,-71.1978365140764,0.0,0.0,-71.23455541725886,0.0,-70.69715593256555,,,,,,,
PBE,cbs,0,trail,Cr,-86.82871212197206,0.0,0.0,-86.803920071058,0.0,-86.21914367041965,,,,,,,
PBE,cbs,0,trail,CrO,-102.84600922457722,0.0,0.0,-102.82674546839144,0.0,-101.8470259825963,,,,,,,
PBE,cbs,0,trail,Cu,-197.7062199347308,0.0,0.0,-197.61766150093345,0.0,-196.5663857093897,,,,,,,
PBE,cbs,0,trail,CuO,-213.6733401570821,0.0,0.0,-213.5760822922472,0.0,-212.2443747048047,,,,,,,
PBE,cbs,0,trail,Fe,-123.7986002838843,0.0,0.0,-123.76799269977768,0.0,-123.03901730654364,,,,,,,
PBE,cbs,0,trail,VO,-87.32275480349001,0.0,0.0,-87.32689060024185,0.0,-86.4085589710134,,,,,,,
PBE,cbs,0,trail,FeO,-139.83305952726948,0.0,0.0,-139.77329254270236,0.0,-138.6688002342686,,,,,,,
PBE,cbs,0,trail,MnO,-120.17980706907244,0.0,0.0,-120.14879091266157,0.0,-119.1410615195134,,,,,,,
PBE,cbs,0,trail,O,-15.844998141151107,0.0,0.0,-15.84743170708123,0.0,-15.651937613925504,,,,,,,
PBE,cbs,0,trail,Sc,-46.42709022657117,0.0,0.0,-46.49069148197452,0.0,-46.05778142019411,,,,,,,
PBE,cbs,0,trail,ScO,-62.55364899422944,0.0,0.0,-62.59646590077432,0.0,-61.83521387628593,,,,,,,
PBE,cbs,0,trail,Ti,-57.9586506496921,0.0,0.0,-58.005411399250676,0.0,-57.52353975763188,,,,,,,
PBE,cbs,0,trail,Mn,-104.15486775994108,0.0,0.0,-104.15683288610128,0.0,-103.5177600936748,,,,,,,
QSGW,vtz,0,trail,Mn,-104.17845,0.0,0.0,-104.06366,9.9e-07,-103.51751723050371,,,,,,,
QSGW,vtz,0,trail,ScO,-62.630314,0.0,0.0,-62.53013000000001,9.96e-06,-61.83374588456312,,,,,,,
QSGW,vtz,0,trail,TiO,-74.14556800000003,0.0,0.0,-74.03085,1.99e-05,-73.27527588824228,,,,,,,
QSGW,vtz,0,trail,Sc,-46.521558,0.0,0.0,-46.4523,8.800000000000002e-08,-46.05746799644578,,,,,,,
QSGW,vtz,1,trail,Sc,-46.280853,0.0,0.0,-46.21149000000001,0.0,-45.85935928101564,,,,,,,
QSGW,vtz,0,trail,MnO,-120.18728,0.0,0.0,-120.02928,2e-05,-119.13957526878391,,,,,,,
QSGW,vtz,0,trail,FeO,-139.79774,0.0,0.0,-139.63546000000002,2e-05,-138.667246980313,,,,,,,
QSGW,vdz,0,trail,O,-15.807752,0.0,0.0,-15.78125,0.0,-15.650898615762124,,,,,,,
QSGW,vtz,0,trail,O,-15.872901,0.0,0.0,-15.82702,0.0,-15.65178729066239,,,,,,,
QSGW,vqz,0,trail,O,-15.897181,0.0,0.0,-15.83909,5.31e-06,-15.651914835093455,,,,,,,
QSGW,vdz,1,trail,O,-15.321295,0.0,0.0,-15.300670000000002,0.0,-15.209469738930444,,,,,,,
QSGW,vtz,1,trail,O,-15.374693,0.0,0.0,-15.33358,0.0,-15.210120374674373,,,,,,,
QSGW,vqz,1,trail,O,-15.393854,0.0,0.0,-15.3421,0.0,-15.210758359146777,,,,,,,
QSGW,vtz,0,trail,Ti,-58.03682,0.0,0.0,-57.95463,3.67e-07,-57.522468837232104,,,,,,,
QSGW,vtz,0,trail,VO,-87.363715,0.0,0.0,-87.23526,2e-05,-86.40670018837703,,,,,,,
QSGW,vtz,0,trail,V,-71.26500899999998,0.0,0.0,-71.16898,1.017e-06,-70.69687058820543,,,,,,,
QSGW,vtz,1,trail,Fe,-123.502684,0.0,0.0,-123.36857,5.41e-07,-122.80424852863449,,,,,,,
QSGW,vtz,1,trail,V,-71.01166500000002,0.0,0.0,-70.91955,1.62e-07,-70.47870620861032,,,,,,,
QSGW,vtz,0,trail,CrO,-102.86007,0.0,0.0,-102.71867,1.99e-05,-101.84420581490784,,,,,,,
QSGW,vtz,0,trail,Fe,-123.788536,0.0,0.0,-123.6572,5.71e-07,-123.03857246947872,,,,,,,
QSGW,vdz,0,trail,Fe,-123.594873,0.0,0.0,-123.51812,6.459999999999999e-07,-123.03606101031244,,,,,,,
QSGW,vtz,0,trail,Cr,-86.846936,0.0,0.0,-86.72091999999998,4.48e-07,-86.21884242573502,,,,,,,
QSGW,vtz,1,trail,Cr,-86.58834,0.0,0.0,-86.47298,2.01e-07,-85.99858355154308,,,,,,,
QSGW,vtz,1,trail,Mn,-103.907381,0.0,0.0,-103.79214,1.99e-07,-103.29880070636771,,,,,,,
QSGW,vtz,1,trail,Ti,-57.793025,0.0,0.0,-57.70424000000001,5.7e-08,-57.318310870851406,,,,,,,
SC-GW,vdz,1,trail,Mn,-103.7259,0.0,0.0,-103.67336,4.2e-08,-103.29335920887651,,1000.0,,,,,
SC-GW,vdz,0,trail,Fe,-123.5623,0.0,0.0,-123.51812,6.459999999999999e-07,-123.03606101031244,,500.0,,,,,
SC-GW,vdz,1,trail,Fe,-123.29177,0.0,0.0,-123.23354,1.2e-07,-122.79860715251272,,1000.0,,,,,
SC-GW,vdz,0,trail,Mn,-103.98211,0.0,0.0,-103.94226,4.56e-07,-103.51554736964935,,1000.0,,,,,
SC-GW,vdz,1,trail,Ti,-57.67169000000001,0.0,0.0,-57.63401999999999,1.1e-08,-57.31379021206569,,1000.0,,,,,
SC-GW,vtz,0,trail,Sc,-46.49071,0.0,0.0,-46.4523,8.800000000000002e-08,-46.05746799644578,,1000.0,,,,,
SC-GW,vtz,1,trail,Mn,-103.88177,0.0,0.0,-103.79214,1.99e-07,-103.29880070636771,,1000.0,,,,,
SC-GW,vtz,1,trail,Cr,-86.55105999999998,0.0,0.0,-86.47298,2.01e-07,-85.99858355154308,,1000.0,,,,,
SC-GW,vtz,0,trail,Cr,-86.80374,0.0,0.0,-86.72091999999998,4.48e-07,-86.21884242573502,,1000.0,,,,,
SC-GW,vtz,1,trail,Ti,-57.76774,0.0,0.0,-57.70424000000001,5.7e-08,-57.318310870851406,,1000.0,,,,,
SC-GW,vtz,0,trail,Ti,-58.00675,0.0,0.0,-57.95463,3.67e-07,-57.522468837232104,,1000.0,,,,,
SC-GW,vtz,1,trail,Sc,-46.25977,0.0,0.0,-46.21149000000001,0.0,-45.85935928101564,,1000.0,,,,,
SC-GW,vdz,0,trail,Sc,-46.4118,0.0,0.0,-46.39685,5.4e-08,-46.056720086471316,,1000.0,,,,,
SC-GW,vtz,1,trail,O,-15.36962,0.0,0.0,-15.33358,0.0,-15.210120374674373,,1000.0,,,,,
SC-GW,vtz,0,trail,Mn,-104.14149,0.0,0.0,-104.06366,9.9e-07,-103.51751723050371,,1000.0,,,,,
SC-GW,vtz,0,trail,O,-15.86379,0.0,0.0,-15.82702,0.0,-15.65178729066239,,1000.0,,,,,
SC-GW,vdz,0,trail,Cr,-86.66071,0.0,0.0,-86.61203,1.24e-07,-86.21795636713652,,1000.0,,,,,
SC-GW,vdz,1,trail,O,-15.31777,0.0,0.0,-15.300670000000002,0.0,-15.209469738930444,,1000.0,,,,,
SC-GW,vdz,1,trail,Sc,-46.18374,0.0,0.0,-46.15683,0.0,-45.85651158235275,,1000.0,,,,,
SC-GW,vdz,0,trail,O,-15.8001,0.0,0.0,-15.78125,0.0,-15.650898615762124,,1000.0,,,,,
SC-GW,vdz,1,trail,V,-70.86828,0.0,0.0,-70.8284,3.2e-08,-70.47804713713508,,500.0,,,,,
SC-GW,vdz,0,trail,Ti,-57.90773000000001,0.0,0.0,-57.88305,2.26e-07,-57.52051227493378,,1000.0,,,,,
SC-GW,vdz,0,trail,V,-71.10911999999998,0.0,0.0,-71.07767,3.2600000000000003e-07,-70.69525960473436,,1000.0,,,,,
SC-GW,vdz,1,trail,Cr,-86.41707,0.0,0.0,-86.37241,4.6e-08,-85.99840800159254,,1000.0,,,,,
SCAN,cbs,0,trail,VO,-87.20379414095068,0.0,0.0,-87.32689060024185,0.0,-86.4085589710134,,,,,,,
SCAN,cbs,0,trail,V,-71.14986169619318,0.0,0.0,-71.23455541725886,0.0,-70.69715593256555,,,,,,,
SCAN,cbs,1,trail,O,-15.330590367462488,0.0,0.0,-15.348000500825664,0.0,-15.21146054892568,,,,,,,
SCAN,cbs,0,trail,TiO,-74.00075078378369,0.0,0.0,-74.10825849037565,0.0,-73.27741268388714,,,,,,,
SCAN,cbs,0,trail,Ti,-57.919495277121136,0.0,0.0,-58.005411399250676,0.0,-57.52353975763188,,,,,,,
SCAN,cbs,0,trail,ScO,-62.47903039606682,0.0,0.0,-62.59646590077432,0.0,-61.83521387628593,,,,,,,
SCAN,cbs,0,trail,Sc,-46.39440435416685,0.0,0.0,-46.49069148197452,0.0,-46.05778142019411,,,,,,,
SCAN,cbs,1,trail,Cr,-86.48235608526353,0.0,0.0,-86.55468488529472,0.0,-85.99875942985739,,,,,,,
SCAN,cbs,0,trail,MnO,-120.03291470476164,0.0,0.0,-120.14879091266157,0.0,-119.1410615195134,,,,,,,
SCAN,cbs,0,trail,Mn,-104.06129847752868,0.0,0.0,-104.15683288610128,0.0,-103.5177600936748,,,,,,,
SCAN,cbs,1,trail,Sc,-46.167921390239975,0.0,0.0,-46.2493458862109,0.0,-45.860224963855885,,,,,,,
SCAN,cbs,0,trail,FeO,-139.64639454533906,0.0,0.0,-139.77329254270236,0.0,-138.6688002342686,,,,,,,
SCAN,cbs,0,trail,CuO,-213.38575425319192,0.0,0.0,-213.5760822922472,0.0,-212.2443747048047,,,,,,,
SCAN,cbs,0,trail,Cu,-197.4482972275803,0.0,0.0,-197.61766150093345,0.0,-196.5663857093897,,,,,,,
SCAN,cbs,0,trail,CrO,-102.71503050621278,0.0,0.0,-102.82674546839144,0.0,-101.8470259825963,,,,,,,
SCAN,cbs,0,trail,Cr,-86.7558989869685,0.0,0.0,-86.803920071058,0.0,-86.21914367041965,,,,,,,
SCAN,cbs,1,trail,Cu,-197.14556801178813,0.0,0.0,-197.3335144795703,0.0,-196.32535219103852,,,,,,,
SCAN,cbs,1,trail,Fe,-123.39229946037935,0.0,0.0,-123.4774306495826,0.0,-122.80533143963957,,,,,,,
SCAN,cbs,1,trail,Mn,-103.81974225857735,0.0,0.0,-103.88361082582092,0.0,-103.2996475233697,,,,,,,
SCAN,cbs,0,trail,Fe,-123.66010902235249,0.0,0.0,-123.76799269977768,0.0,-123.03901730654364,,,,,,,
SCAN,cbs,0,trail,O,-15.820382298904507,0.0,0.0,-15.84743170708123,0.0,-15.651937613925504,,,,,,,
SCAN,cbs,1,trail,V,-70.92355319129419,0.0,0.0,-70.98633341776896,0.0,-70.47860927092995,,,,,,,
SCAN,cbs,1,trail,Ti,-57.68862379955658,0.0,0.0,-57.754145946506405,0.0,-57.32024446051594,,,,,,,
SEET(FCI/GF2),vdz,1,trail,Fe,-123.2359,0.0,3e-05,-123.23354,1.2e-07,-122.79860715251272,,1000.0,,,,,
SEET(FCI/GF2),vtz,0,trail,Mn,-104.0654,0.0,5e-05,-104.06366,9.9e-07,-103.51751723050371,,1000.0,,,,,
SEET(FCI/GF2),vqz,0,trail,Mn,-104.1166,0.0,5e-05,-104.11501,3.37e-06,-103.51774137665831,,1000.0,,,,,
SEET(FCI/GF2),vtz,1,trail,Mn,-103.7891,0.0,0.0,-103.79214,1.99e-07,-103.29880070636771,,1000.0,,,,,
SEET(FCI/GF2),vqz,1,trail,Mn,-103.84100000000001,0.0,0.0,-103.84272,2.375e-06,-103.29943473113407,,1000.0,,,,,
SEET(FCI/GF2),vdz,0,trail,Fe,-123.5139,0.0,8e-05,-123.51812,6.459999999999999e-07,-123.03606101031244,,1000.0,,,,,
SEET(FCI/GF2),vtz,0,trail,Fe,-123.6561,0.0,7e-05,-123.6572,5.71e-07,-123.03857246947872,,1000.0,,,,,
SEET(FCI/GF2),vqz,0,trail,Fe,-123.71700000000001,0.0,6e-05,-123.71675,1.63e-05,-123.03893433543683,,1000.0,,,,,
SEET(FCI/GF2),vtz,1,trail,Fe,-123.3677,0.0,0.0,-123.36857,5.41e-07,-122.80424852863449,,1000.0,,,,,
SEET(FCI/GF2),vqz,1,trail,Fe,-123.4284,0.0,5e-05,-123.42709,3.122e-06,-122.80506201856676,,1000.0,,,,,
SEET(FCI/GF2),vdz,0,trail,ScO,-62.4118,0.0,9e-05,-62.42004,9.92e-06,-61.829342751826275,,1000.0,,,,,one-shot GF2
SEET(FCI/GF2),vtz,0,trail,ScO,-62.5203,0.0,0.00015,-62.53013000000001,9.96e-06,-61.83374588456312,,1000.0,,,,,one-shot GF2
SEET(FCI/GF2),vqz,0,trail,ScO,-62.5602,0.0,0.0,-62.56845381,1e-05,-61.834924297751634,,1000.0,,,,,one-shot GF2
SEET(FCI/GF2),vdz,0,trail,TiO,-73.9024,0.0,0.0,-73.90375,6.77e-07,-73.26973605789902,,1000.0,,,,,one-shot GF2
SEET(FCI/GF2),vtz,0,trail,TiO,-74.0302,0.0,0.0007,-74.03085,1.99e-05,-73.27527588824228,,1000.0,,,,,one-shot GF2
SEET(FCI/GF2),vqz,0,trail,TiO,-74.07435,0.0,0.00066,-74.07548786,1e-05,-73.27696889209976,,1000.0,,,,,one-shot GF2
SEET(FCI/GF2),vdz,0,trail,VO,-87.0857,0.0,2e-05,-87.08577,2.7300000000000003e-05,-86.4002119655646,,1000.0,,,,,one-shot GF2
SEET(FCI/GF2),vtz,0,trail,VO,-87.2354,0.0,5e-05,-87.23526,2e-05,-86.40670018837703,,1000.0,,,,,one-shot GF2
SEET(FCI/GF2),vqz,0,trail,VO,-87.2803,0.0,5e-05,-87.288681736,1e-05,-86.40819514293459,,1000.0,,,,,one-shot GF2
SEET(FCI/GF2),vdz,0,trail,CrO,-102.5587,0.0,0.0008900000000000002,-102.55837,2.442e-06,-101.8381354486648,,1000.0,,,,,one-shot GF2
SEET(FCI/GF2),vqz,0,trail,CrO,-102.7661,0.0,0.00017,-102.779756,1e-05,-101.84627163418828,,1000.0,,,,,one-shot GF2
SEET(FCI/GF2),vdz,0,trail,FeO,-139.4254,0.0,0.00079,-139.43599,5.4039999999999986e-06,-138.66009692442393,,1000.0,,,,,one-shot GF2
SEET(FCI/GF2),vtz,0,trail,FeO,-139.6288,0.0,0.00018,-139.63546000000002,2e-05,-138.667246980313,,1000.0,,,,,one-shot GF2
SEET(FCI/GF2),vqz,0,trail,FeO,-139.7016,0.0,0.0003,-139.7113522,1e-05,-138.6685140260192,,1000.0,,,,,one-shot GF2
SEET(FCI/GF2),vdz,0,trail,CuO,-213.1234,0.0,4e-05,-213.12303,3.599e-06,-212.238829673217,,500.0,,,,,one-shot GF2
SEET(FCI/GF2),vtz,0,trail,CuO,-213.3793,0.0,6e-05,-213.37778,1.664e-06,-212.24349945673225,,500.0,,,,,one-shot GF2
SEET(FCI/GF2),vqz,0,trail,CuO,-213.4838,0.0,9e-05,-213.4842442,1e-05,-212.24422133071548,,500.0,,,,,one-shot GF2
SEET(FCI/GF2),vdz,0,trail,Mn,-103.9438,0.0,0.0,-103.94226,4.56e-07,-103.51554736964935,,1000.0,,,,,
SEET(FCI/GF2),vqz,1,trail,Cr,-86.5188,0.0,0.00016,-86.51867,1.764e-06,-85.99861621753384,,1000.0,,,,,
SEET(FCI/GF2),vdz,1,trail,Mn,-103.6736,0.0,9e-05,-103.67336,4.2e-08,-103.29335920887651,,1000.0,,,,,
SEET(FCI/GF2),vdz,1,trail,Cr,-86.3714,0.0,7e-05,-86.37241,4.6e-08,-85.99840800159254,,1000.0,,,,,
SEET(FCI/GF2),vdz,1,trail,Sc,-46.1559,0.0,0.00048,-46.15683,0.0,-45.85651158235275,,1000.0,,,,,
SEET(FCI/GF2),vtz,1,trail,Sc,-46.2084,0.0,0.0007700000000000001,-46.21149000000001,0.0,-45.85935928101564,,1000.0,,,,,
SEET(FCI/GF2),vqz,1,trail,Sc,-46.2326,0.0,0.0018,-46.23311,9.94e-07,-45.859964744612796,,1000.0,,,,,
SEET(FCI/GF2),vdz,0,trail,Ti,-57.8851,0.0,0.00025,-57.88305,2.26e-07,-57.52051227493378,,1000.0,,,,,
SEET(FCI/GF2),vtz,0,trail,Ti,-57.9547,0.0,0.00021,-57.95463,3.67e-07,-57.522468837232104,,1000.0,,,,,
SEET(FCI/GF2),vqz,0,trail,Ti,-57.9814,0.0,0.0004,-57.983000000000004,2.24e-06,-57.52332478221496,,1000.0,,,,,
SEET(FCI/GF2),vdz,1,trail,Ti,-57.6324,0.0,8e-05,-57.63401999999999,1.1e-08,-57.31379021206569,,1000.0,,,,,
SEET(FCI/GF2),vtz,1,trail,Ti,-57.7032,0.0,0.0006900000000000001,-57.70424000000001,5.7e-08,-57.318310870851406,,1000.0,,,,,
SEET(FCI/GF2),vtz,1,trail,Cr,-86.4697,0.0,0.00022,-86.47298,2.01e-07,-85.99858355154308,,1000.0,,,,,
SEET(FCI/GF2),vdz,0,trail,Sc,-46.3946,0.0,0.00048,-46.39685,5.4e-08,-46.056720086471316,,1000.0,,,,,
SEET(FCI/GF2),vqz,1,trail,O,-15.3418,0.0,3e-05,-15.3421,0.0,-15.210758359146777,,1000.0,,,,,
SEET(FCI/GF2),vtz,1,trail,O,-15.332,0.0,9e-05,-15.33358,0.0,-15.210120374674373,,1000.0,,,,,
SEET(FCI/GF2),vdz,1,trail,O,-15.2974,0.0,9e-05,-15.300670000000002,0.0,-15.209469738930444,,1000.0,,,,,
SEET(FCI/GF2),vqz,0,trail,O,-15.8357,0.0,7e-05,-15.83909,5.31e-06,-15.651914835093455,,1000.0,,,,,
SEET(FCI/GF2),vtz,0,trail,O,-15.8241,0.0,0.0001,-15.82702,0.0,-15.65178729066239,,1000.0,,,,,
SEET(FCI/GF2),vqz,1,trail,Ti,-57.7302,0.0,0.0,-57.73256,7.33e-07,-57.319727268097715,,1000.0,,,,,
SEET(FCI/GF2),vdz,0,trail,V,-71.0775,0.0,0.00046,-71.07767,3.2600000000000003e-07,-70.69525960473436,,1000.0,,,,,
SEET(FCI/GF2),vdz,0,trail,O,-15.7786,0.0,0.00034,-15.78125,0.0,-15.650898615762124,,1000.0,,,,,
SEET(FCI/GF2),vtz,0,trail,V,-71.167,0.0,0.0,-71.16898,1.017e-06,-70.69687058820543,,1000.0,,,,,
SEET(FCI/GF2),vqz,0,trail,V,-71.2031,0.0,0.00016,-71.20578,1e-05,-70.69711953301085,,1000.0,,,,,
SEET(FCI/GF2),vdz,1,trail,V,-70.8266,0.0,6e-05,-70.8284,3.2e-08,-70.47804713713508,,1000.0,,,,,
SEET(FCI/GF2),vtz,1,trail,V,-70.9164,0.0,0.00023,-70.91955,1.62e-07,-70.47870620861032,,1000.0,,,,,
SEET(FCI/GF2),vqz,1,trail,V,-70.956,0.0,7e-05,-70.95759,8.42e-07,-70.47878254097698,,1000.0,,,,,
SEET(FCI/GF2),vdz,0,trail,Cr,-86.6116,0.0,0.0,-86.61203,1.24e-07,-86.21795636713652,,1000.0,,,,,
SEET(FCI/GF2),vtz,0,trail,Cr,-86.7173,0.0,0.00011,-86.72091999999998,4.48e-07,-86.21884242573502,,1000.0,,,,,
SEET(FCI/GF2),vqz,0,trail,Cr,-86.7657,0.0,0.0,-86.76760999999998,0.0,-86.21909581115591,,1000.0,,,,,
SEET(FCI/GF2),vqz,0,trail,Sc,-46.4737,0.0,0.0,-46.474,1.07e-06,-46.057726629346845,,1000.0,,,,,
SEET(FCI/GF2),vtz,0,trail,Sc,-46.4476,0.0,0.00048,-46.4523,8.800000000000002e-08,-46.05746799644578,,1000.0,,,,,
SHCI,vdz,0,trail,FeO,-139.43599,5.4039999999999986e-06,8e-05,-139.43599,5.4039999999999986e-06,-138.66009692442393,,,,,,,
SHCI,vdz,0,trail,CuO,-213.12303,3.599e-06,0.00017,-213.12303,3.599e-06,-212.238829673217,,,,,,,
SHCI,vtz,0,trail,TiO,-74.03085,1.99e-05,2e-05,-74.03085,1.99e-05,-73.27527588824228,,,,,,,
SHCI,vtz,0,trail,VO,-87.23526,2e-05,2e-05,-87.23526,2e-05,-86.40670018837703,,,,,,,
SHCI,vtz,0,trail,CrO,-102.71867,1.99e-05,0.00028,-102.71867,1.99e-05,-101.84420581490784,,,,,,,
SHCI,vtz,0,trail,MnO,-120.02928,2e-05,0.00024,-120.02928,2e-05,-119.13957526878391,,,,,,,
SHCI,vtz,0,trail,FeO,-139.63546000000002,2e-05,0.00031,-139.63546000000002,2e-05,-138.667246980313,,,,,,,
SHCI,vtz,0,trail,CuO,-213.37778,1.664e-06,0.00063,-213.37778,1.664e-06,-212.24349945673225,,,,,,,
SHCI,vdz,0,trail,MnO,-119.85051,1e-05,5e-05,-119.85051,1e-05,-119.1332394993054,,,,,,,
SHCI,vtz,0,trail,ScO,-62.53013000000001,9.96e-06,7e-05,-62.53013000000001,9.96e-06,-61.83374588456312,,,,,,,
SHCI,vdz,0,trail,CrO,-102.55837,2.442e-06,9e-05,-102.55837,2.442e-06,-101.8381354486648,,,,,,,
SHCI,vtz,1,trail,Sc,-46.21149000000001,0.0,1e-05,-46.21149000000001,0.0,-45.85935928101564,,,,,,,
SHCI,vdz,0,trail,TiO,-73.90375,6.77e-07,6e-05,-73.90375,6.77e-07,-73.26973605789902,,,,,,,
SHCI,vdz,0,trail,ScO,-62.42004,9.92e-06,6e-05,-62.42004,9.92e-06,-61.829342751826275,,,,,,,
SHCI,vtz,1,trail,Cu,-197.16304,6.5e-07,1e-05,-197.16304,6.5e-07,-196.32520712735686,,,,,,,
SHCI,vqz,0,trail,O,-15.83909,5.31e-06,0.0,-15.83909,5.31e-06,-15.651914835093455,,,,,,,
SHCI,vqz,1,trail,O,-15.3421,0.0,0.0,-15.3421,0.0,-15.210758359146777,,,,,,,
SHCI,vqz,0,trail,Sc,-46.474,1.07e-06,4e-05,-46.474,1.07e-06,-46.057726629346845,,,,,,,
SHCI,vqz,1,trail,Sc,-46.23311,9.94e-07,1e-05,-46.23311,9.94e-07,-45.859964744612796,,,,,,,
SHCI,vqz,0,trail,Ti,-57.983000000000004,2.24e-06,5e-05,-57.983000000000004,2.24e-06,-57.52332478221496,,,,,,,
SHCI,vqz,1,trail,Ti,-57.73256,7.33e-07,2e-05,-57.73256,7.33e-07,-57.319727268097715,,,,,,,
SHCI,vqz,0,trail,TiO,-74.07548786,1e-05,0.0005975141000000001,-74.07548786,1e-05,-73.27696889209976,,,,,,,
SHCI,vdz,0,trail,VO,-87.08577,2.7300000000000003e-05,7e-05,-87.08577,2.7300000000000003e-05,-86.4002119655646,,,,,,,
SHCI,vqz,0,trail,VO,-87.288681736,1e-05,7.085010000000001e-05,-87.288681736,1e-05,-86.40819514293459,,,,,,,
SHCI,vtz,0,trail,Ti,-57.95463,3.67e-07,6e-05,-57.95463,3.67e-07,-57.522468837232104,,,,,,,
SHCI,vqz,0,trail,MnO,-120.09707125940001,1e-05,0.0002142232,-120.09707125940001,1e-05,-119.14081170666552,,,,,,,
SHCI,vtz,0,trail,O,-15.82702,0.0,0.0,-15.82702,0.0,-15.65178729066239,,,,,,,
SHCI,vdz,1,trail,Cu,-196.96723,1.474e-06,4e-05,-196.96723,1.474e-06,-196.32402730647453,,,,,,,
SHCI,vdz,0,trail,Cu,-197.2369,1.152e-06,3e-05,-197.2369,1.152e-06,-196.56440183256336,,,,,,,
SHCI,vdz,1,trail,Fe,-123.23354,1.2e-07,1e-05,-123.23354,1.2e-07,-122.79860715251272,,,,,,,
SHCI,vdz,0,trail,Fe,-123.51812,6.459999999999999e-07,2e-05,-123.51812,6.459999999999999e-07,-123.03606101031244,,,,,,,
SHCI,vdz,1,trail,Mn,-103.67336,4.2e-08,1e-05,-103.67336,4.2e-08,-103.29335920887651,,,,,,,
SHCI,vdz,0,trail,Mn,-103.94226,4.56e-07,2e-05,-103.94226,4.56e-07,-103.51554736964935,,,,,,,
SHCI,vdz,1,trail,Cr,-86.37241,4.6e-08,1e-05,-86.37241,4.6e-08,-85.99840800159254,,,,,,,
SHCI,vdz,0,trail,Cr,-86.61203,1.24e-07,2e-05,-86.61203,1.24e-07,-86.21795636713652,,,,,,,
SHCI,vdz,1,trail,V,-70.8284,3.2e-08,1e-05,-70.8284,3.2e-08,-70.47804713713508,,,,,,,
SHCI,vdz,0,trail,V,-71.07767,3.2600000000000003e-07,4e-05,-71.07767,3.2600000000000003e-07,-70.69525960473436,,,,,,,
SHCI,vdz,1,trail,Ti,-57.63401999999999,1.1e-08,1e-05,-57.63401999999999,1.1e-08,-57.31379021206569,,,,,,,
SHCI,vdz,0,trail,Ti,-57.88305,2.26e-07,3e-05,-57.88305,2.26e-07,-57.52051227493378,,,,,,,
SHCI,vdz,1,trail,Sc,-46.15683,0.0,1e-05,-46.15683,0.0,-45.85651158235275,,,,,,,
SHCI,vdz,0,trail,Sc,-46.39685,5.4e-08,1e-05,-46.39685,5.4e-08,-46.056720086471316,,,,,,,
SHCI,vdz,1,trail,O,-15.300670000000002,0.0,0.0,-15.300670000000002,0.0,-15.209469738930444,,,,,,,
SHCI,vdz,0,trail,O,-15.78125,0.0,0.0,-15.78125,0.0,-15.650898615762124,,,,,,,
SHCI,vtz,1,trail,O,-15.33358,0.0,0.0,-15.33358,0.0,-15.210120374674373,,,,,,,
SHCI,vtz,0,trail,Sc,-46.4523,8.800000000000002e-08,3e-05,-46.4523,8.800000000000002e-08,-46.05746799644578,,,,,,,
SHCI,vqz,0,trail,V,-71.20578,1e-05,6e-05,-71.20578,1e-05,-70.69711953301085,,,,,,,
SHCI,vtz,1,trail,Ti,-57.70424000000001,5.7e-08,3e-05,-57.70424000000001,5.7e-08,-57.318310870851406,,,,,,,
SHCI,vqz,0,trail,FeO,-139.7113522,1e-05,0.0007937932000000001,-139.7113522,1e-05,-138.6685140260192,,,,,,,
SHCI,vqz,0,trail,CuO,-213.4842442,1e-05,0.0008401547999999999,-213.4842442,1e-05,-212.24422133071548,,,,,,,
SHCI,v5z,0,trail,ScO,-62.5821409609,1e-05,0.0006,-62.5821409609,1e-05,-61.8350828626785,,,,,,,
SHCI,v5z,0,trail,TiO,-74.09147310520001,1e-05,0.0002,-74.09147310520001,1e-05,-73.2771786400687,,,,,,,
SHCI,v5z,0,trail,VO,-87.3073938172,1e-05,0.0004210737,-87.3073938172,1e-05,-86.40843884648703,,,,,,,
SHCI,v5z,0,trail,CrO,-102.8027368164,1e-05,0.0008254673,-102.8027368164,1e-05,-101.84668971203637,,,,,,,
SHCI,v5z,0,trail,MnO,-120.1223644293,1e-05,0.0006948453,-120.1223644293,1e-05,-119.14098759444364,,,,,,,
SHCI,v5z,0,trail,FeO,-139.7416819491,1e-05,0.0008991592,-139.7416819491,1e-05,-138.66875655750619,,,,,,,
SHCI,vqz,0,trail,CrO,-102.779756,1e-05,0.0007410852,-102.779756,1e-05,-101.84627163418828,,,,,,,
SHCI,v5z,0,trail,CuO,-213.5291282959,1e-05,0.002,-213.5291282959,1e-05,-212.2443632841544,,,,,,,
SHCI,vtz,1,trail,Fe,-123.36857,5.41e-07,3e-05,-123.36857,5.41e-07,-122.80424852863449,,,,,,,
SHCI,vtz,0,trail,Fe,-123.6572,5.71e-07,1e-05,-123.6572,5.71e-07,-123.03857246947872,,,,,,,
SHCI,vtz,1,trail,Mn,-103.79214,1.99e-07,2e-05,-103.79214,1.99e-07,-103.29880070636771,,,,,,,
SHCI,vtz,0,trail,Mn,-104.06366,9.9e-07,5e-05,-104.06366,9.9e-07,-103.51751723050371,,,,,,,
SHCI,vtz,1,trail,Cr,-86.47298,2.01e-07,2e-05,-86.47298,2.01e-07,-85.99858355154308,,,,,,,
SHCI,vtz,0,trail,Cr,-86.72091999999998,4.48e-07,4e-05,-86.72091999999998,4.48e-07,-86.21884242573502,,,,,,,
SHCI,vtz,1,trail,V,-70.91955,1.62e-07,4e-05,-70.91955,1.62e-07,-70.47870620861032,,,,,,,
SHCI,vtz,0,trail,V,-71.16898,1.017e-06,4e-05,-71.16898,1.017e-06,-70.69687058820543,,,,,,,
SHCI,vtz,0,trail,Cu,-197.44464,4.59e-07,2e-05,-197.44464,4.59e-07,-196.56611793957046,,,,,,,
SHCI,vqz,1,trail,V,-70.95759,8.42e-07,0.0,-70.95759,8.42e-07,-70.47878254097698,,,,,,,
SHCI,vqz,0,trail,ScO,-62.56845381,1e-05,0.0004209225,-62.56845381,1e-05,-61.834924297751634,,,,,,,
SHCI,vqz,1,trail,Cr,-86.51867,1.764e-06,0.0,-86.51867,1.764e-06,-85.99861621753384,,,,,,,
SHCI,v5z,1,trail,Cu,-197.29251,3.86e-07,7e-05,-197.29251,3.86e-07,-196.3253458468569,,,,,,,
SHCI,vqz,0,trail,Cr,-86.76760999999998,0.0,1e-05,-86.76760999999998,0.0,-86.21909581115591,,,,,,,
SHCI,v5z,1,trail,Sc,-46.24115,1.398e-05,1e-05,-46.24115,1.398e-05,-45.86020861913251,,,,,,,
SHCI,v5z,0,trail,Ti,-57.99386,0.0,8e-05,-57.99386,0.0,-57.52335292738408,,,,,,,
SHCI,v5z,1,trail,Ti,-57.74316,0.0,2e-05,-57.74316,0.0,-57.320045716102676,,,,,,,
SHCI,v5z,0,trail,V,-71.21983,0.0,3e-05,-71.21983,0.0,-70.69714489237121,,,,,,,
SHCI,v5z,1,trail,V,-70.97182,0.0,0.0,-70.97182,0.0,-70.47890119732277,,,,,,,
SHCI,v5z,0,trail,Cr,-86.78532,0.0,1e-05,-86.78532,0.0,-86.21910985180031,,,,,,,
SHCI,v5z,0,trail,Mn,-104.13542,4.9e-08,2e-05,-104.13542,4.9e-08,-103.51775094214493,,,,,,,
SHCI,v5z,1,trail,Mn,-103.86284,0.0,1e-05,-103.86284,0.0,-103.29970385074444,,,,,,,
SHCI,v5z,0,trail,Fe,-123.7418,1.98e-07,2e-05,-123.7418,1.98e-07,-123.03901838784545,,,,,,,
SHCI,v5z,1,trail,Cr,-86.53627,0.0,3e-05,-86.53627,0.0,-85.99871084112391,,,,,,,
SHCI,v5z,0,trail,Cu,-197.57608,1.068e-06,1e-05,-197.57608,1.068e-06,-196.5663811367177,,,,,,,
SHCI,vqz,0,trail,Mn,-104.11501,3.37e-06,1e-05,-104.11501,3.37e-06,-103.51774137665831,,,,,,,
SHCI,v5z,1,trail,Fe,-123.45183,3e-08,2e-05,-123.45183,3e-08,-122.805367259054,,,,,,,
SHCI,vqz,0,trail,Fe,-123.71675,1.63e-05,6e-05,-123.71675,1.63e-05,-123.03893433543683,,,,,,,
SHCI,vqz,1,trail,Fe,-123.42709,3.122e-06,3e-05,-123.42709,3.122e-06,-122.80506201856676,,,,,,,
SHCI,vqz,0,trail,Cu,-197.53642,1.98e-05,0.0,-197.53642,1.98e-05,-196.5663491464669,,,,,,,
SHCI,vqz,1,trail,Mn,-103.84272,2.375e-06,1e-05,-103.84272,2.375e-06,-103.29943473113407,,,,,,,
SHCI,v5z,0,trail,O,-15.84317,0.0,0.0,-15.84317,0.0,-15.651935198107855,,,,,,,
SHCI,v5z,1,trail,O,-15.34479,0.0,0.0,-15.34479,0.0,-15.210911583355957,,,,,,,
SHCI,v5z,0,trail,Sc,-46.48213,0.0,7e-05,-46.48213,0.0,-46.05773792407675,,,,,,,
SHCI,vqz,1,trail,Cu,-197.25343,3.012e-06,1e-05,-197.25343,3.012e-06,-196.32534219464927,,,,,,,
UCCSD,vtz,0,trail,Cu,-197.41740370680068,0.0,0.0,-197.44464,4.59e-07,-196.56611793957046,,,,,,,
UCCSD,vtz,0,trail,Cr,-86.70659076775038,0.0,0.0,-86.72091999999998,4.48e-07,-86.21884242573502,,,,,,,
UCCSD,vtz,1,trail,Cr,-86.4615517308287,0.0,0.0,-86.47298,2.01e-07,-85.99858355154308,,,,,,,
UCCSD,vtz,0,trail,Mn,-104.04778117933417,0.0,0.0,-104.06366,9.9e-07,-103.51751723050371,,,,,,,
UCCSD,vtz,1,trail,Mn,-103.78146526904207,0.0,0.0,-103.79214,1.99e-07,-103.29880070636771,,,,,,,
UCCSD,vtz,0,trail,Fe,-123.63925375399349,0.0,0.0,-123.6572,5.71e-07,-123.03857246947872,,,,,,,
UCCSD,vtz,1,trail,Fe,-123.35622693757796,0.0,0.0,-123.36857,5.41e-07,-122.80424852863449,,,,,,,
UCCSD,vtz,1,trail,Cu,-197.14212776934414,0.0,0.0,-197.16304,6.5e-07,-196.32520712735686,,,,,,,
UCCSD,vqz,1,trail,Cr,-86.50525415684963,0.0,0.0,-86.51867,1.764e-06,-85.99861621753384,,,,,,,
UCCSD,vqz,1,trail,O,-15.339802474778907,0.0,0.0,-15.3421,0.0,-15.210758359146777,,,,,,,
UCCSD,vqz,0,trail,Sc,-46.4573768287099,0.0,0.0,-46.474,1.07e-06,-46.057726629346845,,,,,,,
UCCSD,vqz,1,trail,Sc,-46.22134076672064,0.0,0.0,-46.23311,9.94e-07,-45.859964744612796,,,,,,,
UCCSD,vqz,0,trail,Ti,-57.965885691801745,0.0,0.0,-57.983000000000004,2.24e-06,-57.52332478221496,,,,,,,
UCCSD,vqz,1,trail,Ti,-57.720794629913655,0.0,0.0,-57.73256,7.33e-07,-57.319727268097715,,,,,,,
UCCSD,vqz,0,trail,Cu,-197.5052619390659,0.0,0.0,-197.53642,1.98e-05,-196.5663491464669,,,,,,,
UCCSD,vqz,0,trail,V,-71.18778095431433,0.0,0.0,-71.20578,1e-05,-70.69711953301085,,,,,,,
UCCSD,vqz,1,trail,V,-70.94431928426559,0.0,0.0,-70.95759,8.42e-07,-70.47878254097698,,,,,,,
UCCSD,vqz,0,trail,Cr,-86.75091365432642,0.0,0.0,-86.76760999999998,0.0,-86.21909581115591,,,,,,,
UCCSD,vtz,0,trail,V,-71.15279224831197,0.0,0.0,-71.16898,1.017e-06,-70.69687058820543,,,,,,,
UCCSD,vqz,0,trail,O,-15.834743331725905,0.0,0.0,-15.83909,5.31e-06,-15.651914835093455,,,,,,,
UCCSD,vtz,1,trail,Ti,-57.69382220179495,0.0,0.0,-57.70424000000001,5.7e-08,-57.318310870851406,,,,,,,
UCCSD,vdz,1,trail,Cu,-196.95740455913932,0.0,0.0,-196.96723,1.474e-06,-196.32402730647453,,,,,,,
UCCSD,vtz,1,trail,Sc,-46.20101314857256,0.0,0.0,-46.21149000000001,0.0,-45.85935928101564,,,,,,,
UCCSD,v5z,0,trail,Cu,-197.5436642703226,0.0,0.0,-197.57608,1.068e-06,-196.5663811367177,,,,,,,
UCCSD,v5z,1,trail,Fe,-123.43650116773459,0.0,0.0,-123.45183,3e-08,-122.805367259054,,,,,,,
UCCSD,v5z,0,trail,Fe,-123.7202895244198,0.0,0.0,-123.7418,1.98e-07,-123.03901838784545,,,,,,,
UCCSD,v5z,1,trail,Mn,-103.84959934460872,0.0,0.0,-103.86284,0.0,-103.29970385074444,,,,,,,
UCCSD,v5z,0,trail,Mn,-104.11650854784256,0.0,0.0,-104.13542,4.9e-08,-103.51775094214493,,,,,,,
UCCSD,v5z,1,trail,Cr,-86.522101589246,0.0,0.0,-86.53627,0.0,-85.99871084112391,,,,,,,
UCCSD,v5z,1,trail,Cu,-197.26680808774643,0.0,0.0,-197.29251,3.86e-07,-196.3253458468569,,,,,,,
UCCSD,v5z,0,trail,Cr,-86.76784385163063,0.0,0.0,-86.78532,0.0,-86.21910985180031,,,,,,,
UCCSD,v5z,0,trail,V,-71.2010143606209,0.0,0.0,-71.21983,0.0,-70.69714489237121,,,,,,,
UCCSD,v5z,1,trail,Ti,-57.730914761840964,0.0,0.0,-57.74316,0.0,-57.320045716102676,,,,,,,
UCCSD,v5z,0,trail,Ti,-57.976024725428076,0.0,0.0,-57.99386,0.0,-57.52335292738408,,,,,,,
UCCSD,v5z,1,trail,Sc,-46.22894630104592,0.0,0.0,-46.24115,1.398e-05,-45.86020861913251,,,,,,,
UCCSD,v5z,0,trail,Sc,-46.4649768160275,0.0,0.0,-46.48213,0.0,-46.05773792407675,,,,,,,
UCCSD,v5z,1,trail,O,-15.342397226918795,0.0,0.0,-15.34479,0.0,-15.210911583355957,,,,,,,
UCCSD,v5z,1,trail,V,-70.9579715407137,0.0,0.0,-70.97182,0.0,-70.47890119732277,,,,,,,
UCCSD,vdz,0,trail,O,-15.779080211623132,0.0,0.0,-15.78125,0.0,-15.650898615762124,,,,,,,
UCCSD,vdz,1,trail,O,-15.299800503596158,0.0,0.0,-15.300670000000002,0.0,-15.209469738930444,,,,,,,
UCCSD,vdz,0,trail,Sc,-46.38595844384197,0.0,0.0,-46.39685,5.4e-08,-46.056720086471316,,,,,,,
UCCSD,vtz,0,trail,Sc,-46.43718489311391,0.0,0.0,-46.4523,8.800000000000002e-08,-46.05746799644578,,,,,,,
UCCSD,vtz,1,trail,O,-15.331593370228314,0.0,0.0,-15.33358,0.0,-15.210120374674373,,,,,,,
UCCSD,vtz,0,trail,O,-15.82314937712888,0.0,0.0,-15.82702,0.0,-15.65178729066239,,,,,,,
UCCSD,vdz,0,trail,Cu,-197.22228761675166,0.0,0.0,-197.2369,1.152e-06,-196.56440183256336,,,,,,,
UCCSD,vdz,1,trail,Fe,-123.22715350312636,0.0,0.0,-123.23354,1.2e-07,-122.79860715251272,,,,,,,
UCCSD,vdz,0,trail,Fe,-123.50779840651155,0.0,0.0,-123.51812,6.459999999999999e-07,-123.03606101031244,,,,,,,
UCCSD,vdz,1,trail,Mn,-103.66757407055952,0.0,0.0,-103.67336,4.2e-08,-103.29335920887651,,,,,,,
UCCSD,vdz,0,trail,Mn,-103.93261369236343,0.0,0.0,-103.94226,4.56e-07,-103.51554736964935,,,,,,,
UCCSD,vdz,1,trail,Cr,-86.3665613390929,0.0,0.0,-86.37241,4.6e-08,-85.99840800159254,,,,,,,
UCCSD,vdz,0,trail,Cr,-86.6046263052922,0.0,0.0,-86.61203,1.24e-07,-86.21795636713652,,,,,,,
UCCSD,vdz,1,trail,V,-70.8223077092011,0.0,0.0,-70.8284,3.2e-08,-70.47804713713508,,,,,,,
UCCSD,vdz,0,trail,V,-71.06739283571673,0.0,0.0,-71.07767,3.2600000000000003e-07,-70.69525960473436,,,,,,,
UCCSD,vdz,1,trail,Ti,-57.62741179100748,0.0,0.0,-57.63401999999999,1.1e-08,-57.31379021206569,,,,,,,
UCCSD,vdz,0,trail,Ti,-57.87237337860729,0.0,0.0,-57.88305,2.26e-07,-57.52051227493378,,,,,,,
UCCSD,vdz,1,trail,Sc,-46.14969669527632,0.0,0.0,-46.15683,0.0,-45.85651158235275,,,,,,,
UCCSD,vtz,0,trail,Ti,-57.93908246335163,0.0,0.0,-57.95463,3.67e-07,-57.522468837232104,,,,,,,
UCCSD,vqz,0,trail,Mn,-104.09688340039624,0.0,0.0,-104.11501,3.37e-06,-103.51774137665831,,,,,,,
UCCSD,vtz,1,trail,V,-70.90803572594318,0.0,0.0,-70.91955,1.62e-07,-70.47870620861032,,,,,,,
UCCSD,vqz,0,trail,Fe,-123.69608273141209,0.0,0.0,-123.71675,1.63e-05,-123.03893433543683,,,,,,,
UCCSD,vtz,0,trail,ScO,-62.48949960887328,0.0,0.0,-62.53013000000001,9.96e-06,-61.83374588456312,,,,,,,
UCCSD,vdz,0,trail,MnO,-119.8192051857518,0.0,0.0,-119.85051,1e-05,-119.1332394993054,,,,,,,
UCCSD,v5z,0,trail,O,-15.83868452648737,0.0,0.0,-15.84317,0.0,-15.651935198107855,,,,,,,
UCCSD,vtz,0,trail,CuO,-213.33434944504288,0.0,0.0,-213.37778,1.664e-06,-212.24349945673225,,,,,,,
UCCSD,v5z,0,trail,CuO,-213.47798335200628,0.0,0.0,-213.5291282959,1e-05,-212.2443632841544,,,,,,,
UCCSD,v5z,0,trail,VO,-87.24932723550339,0.0,0.0,-87.3073938172,1e-05,-86.40843884648703,,,,,,,
UCCSD,vqz,0,trail,CrO,-102.72382559966084,0.0,0.0,-102.779756,1e-05,-101.84627163418828,,,,,,,
UCCSD,vdz,0,trail,TiO,-73.86695705529483,0.0,0.0,-73.90375,6.77e-07,-73.26973605789902,,,,,,,
UCCSD,vqz,0,trail,ScO,-62.52533293633869,0.0,0.0,-62.56845381,1e-05,-61.834924297751634,,,,,,,
UCCSD,vdz,0,trail,CuO,-213.093983309176,0.0,0.0,-213.12303,3.599e-06,-212.238829673217,,,,,,,
UCCSD,vqz,1,trail,Mn,-103.83019314612024,0.0,0.0,-103.84272,2.375e-06,-103.29943473113407,,,,,,,
UCCSD,vqz,0,trail,FeO,-139.65883285444852,0.0,0.0,-139.7113522,1e-05,-138.6685140260192,,,,,,,
UCCSD,v5z,0,trail,ScO,-62.53779524630487,0.0,0.0,-62.5821409609,1e-05,-61.8350828626785,,,,,,,
UCCSD,v5z,0,trail,TiO,-74.041306678526,0.0,0.0,-74.09147310520001,1e-05,-73.2771786400687,,,,,,,
UCCSD,v5z,0,trail,FeO,-139.6875997161323,0.0,0.0,-139.7416819491,1e-05,-138.66875655750619,,,,,,,
UCCSD,vtz,0,trail,MnO,-119.98595216372655,0.0,0.0,-120.02928,2e-05,-119.13957526878391,,,,,,,
UCCSD,vqz,0,trail,MnO,-120.04973103114573,0.0,0.0,-120.09707125940001,1e-05,-119.14081170666552,,,,,,,
UCCSD,vqz,0,trail,VO,-87.2314938062568,0.0,0.0,-87.288681736,1e-05,-86.40819514293459,,,,,,,
UCCSD,vdz,0,trail,VO,-87.0433251794816,0.0,0.0,-87.08577,2.7300000000000003e-05,-86.4002119655646,,,,,,,
UCCSD,vtz,0,trail,FeO,-139.58713524288558,0.0,0.0,-139.63546000000002,2e-05,-138.667246980313,,,,,,,
UCCSD,vqz,1,trail,Cu,-197.22892381725345,0.0,0.0,-197.25343,3.012e-06,-196.32534219464927,,,,,,,
UCCSD,v5z,0,trail,CrO,-102.7448168934164,0.0,0.0,-102.8027368164,1e-05,-101.84668971203637,,,,,,,
UCCSD,vdz,0,trail,CrO,-102.51742471312912,0.0,0.0,-102.55837,2.442e-06,-101.8381354486648,,,,,,,
UCCSD,vtz,0,trail,TiO,-73.984570272526,0.0,0.0,-74.03085,1.99e-05,-73.27527588824228,,,,,,,
UCCSD,vdz,0,trail,ScO,-62.388040825363376,0.0,0.0,-62.42004,9.92e-06,-61.829342751826275,,,,,,,
UCCSD,vdz,0,trail,FeO,-139.40078257457623,0.0,0.0,-139.43599,5.4039999999999986e-06,-138.66009692442393,,,,,,,
UCCSD,vqz,1,trail,Fe,-123.41257068133524,0.0,0.0,-123.42709,3.122e-06,-122.80506201856676,,,,,,,
UCCSD,vqz,0,trail,TiO,-74.0263944169137,0.0,0.0,-74.07548786,1e-05,-73.27696889209976,,,,,,,
UCCSD,vtz,0,trail,CrO,-102.66627196382464,0.0,0.0,-102.71867,1.99e-05,-101.84420581490784,,,,,,,
UCCSD,v5z,0,trail,MnO,-120.0739650213693,0.0,0.0,-120.1223644293,1e-05,-119.14098759444364,,,,,,,
UCCSD,vqz,0,trail,CuO,-213.43547603787056,0.0,0.0,-213.4842442,1e-05,-212.24422133071548,,,,,,,
UCCSD,vtz,0,trail,VO,-87.18156668589623,0.0,0.0,-87.23526,2e-05,-86.40670018837703,,,,,,,
UCCSD(T),vdz,0,trail,Fe,-123.517338779438,0.0,0.0,-123.51812,6.459999999999999e-07,-123.03606101031244,,,,,,,
UCCSD(T),vdz,1,trail,Fe,-123.23318195569523,0.0,0.0,-123.23354,1.2e-07,-122.79860715251272,,,,,,,
UCCSD(T),vdz,0,trail,Cu,-197.23550602653444,0.0,0.0,-197.2369,1.152e-06,-196.56440183256336,,,,,,,
UCCSD(T),vdz,1,trail,Cu,-196.96613540024933,0.0,0.0,-196.96723,1.474e-06,-196.32402730647453,,,,,,,
UCCSD(T),vtz,0,trail,O,-15.826581649979662,0.0,0.0,-15.82702,0.0,-15.65178729066239,,,,,,,
UCCSD(T),vtz,1,trail,O,-15.333332401713635,0.0,0.0,-15.33358,0.0,-15.210120374674373,,,,,,,
UCCSD(T),vtz,0,trail,Sc,-46.450755995567036,0.0,0.0,-46.4523,8.800000000000002e-08,-46.05746799644578,,,,,,,
UCCSD(T),vtz,1,trail,Fe,-123.36850031124139,0.0,0.0,-123.36857,5.41e-07,-122.80424852863449,,,,,,,
UCCSD(T),vtz,1,trail,Sc,-46.21076630565196,0.0,0.0,-46.21149000000001,0.0,-45.85935928101564,,,,,,,
UCCSD(T),vtz,0,trail,Mn,-104.06308129961508,0.0,0.0,-104.06366,9.9e-07,-103.51751723050371,,,,,,,
UCCSD(T),vtz,1,trail,Ti,-57.70356698749631,0.0,0.0,-57.70424000000001,5.7e-08,-57.318310870851406,,,,,,,
UCCSD(T),vtz,0,trail,Fe,-123.65662567308549,0.0,0.0,-123.6572,5.71e-07,-123.03857246947872,,,,,,,
UCCSD(T),vdz,1,trail,Mn,-103.67313363230451,0.0,0.0,-103.67336,4.2e-08,-103.29335920887651,,,,,,,
UCCSD(T),vtz,0,trail,V,-71.16742006980368,0.0,0.0,-71.16898,1.017e-06,-70.69687058820543,,,,,,,
UCCSD(T),vtz,1,trail,V,-70.9190557573661,0.0,0.0,-70.91955,1.62e-07,-70.47870620861032,,,,,,,
UCCSD(T),vtz,0,trail,Cr,-86.72051663814709,0.0,0.0,-86.72091999999998,4.48e-07,-86.21884242573502,,,,,,,
UCCSD(T),vtz,1,trail,Mn,-103.79202851111685,0.0,0.0,-103.79214,1.99e-07,-103.29880070636771,,,,,,,
UCCSD(T),vtz,1,trail,Cr,-86.47274836324767,0.0,0.0,-86.47298,2.01e-07,-85.99858355154308,,,,,,,
UCCSD(T),vtz,0,trail,Ti,-57.95305004477432,0.0,0.0,-57.95463,3.67e-07,-57.522468837232104,,,,,,,
UCCSD(T),vdz,0,trail,Mn,-103.94164716850834,0.0,0.0,-103.94226,4.56e-07,-103.51554736964935,,,,,,,
UCCSD(T),vdz,1,trail,Ti,-57.633436117797956,0.0,0.0,-57.63401999999999,1.1e-08,-57.31379021206569,,,,,,,
UCCSD(T),vdz,0,trail,Cr,-86.61132649841602,0.0,0.0,-86.61203,1.24e-07,-86.21795636713652,,,,,,,
UCCSD(T),vqz,0,trail,VO,-87.28417710813774,0.0,0.0,-87.288681736,1e-05,-86.40819514293459,,,,,,,
UCCSD(T),vqz,0,trail,MnO,-120.09296970532316,0.0,0.0,-120.09707125940001,1e-05,-119.14081170666552,,,,,,,
UCCSD(T),v5z,0,trail,MnO,-120.11863059163471,0.0,0.0,-120.1223644293,1e-05,-119.14098759444364,,,,,,,
UCCSD(T),vtz,0,trail,MnO,-120.02552794586413,0.0,0.0,-120.02928,2e-05,-119.13957526878391,,,,,,,
UCCSD(T),v5z,0,trail,FeO,-139.7382603538747,0.0,0.0,-139.7416819491,1e-05,-138.66875655750619,,,,,,,
UCCSD(T),v5z,0,trail,TiO,-74.0885274725629,0.0,0.0,-74.09147310520001,1e-05,-73.2771786400687,,,,,,,
UCCSD(T),vqz,0,trail,TiO,-74.07261563042645,0.0,0.0,-74.07548786,1e-05,-73.27696889209976,,,,,,,
UCCSD(T),v5z,0,trail,ScO,-62.57954304564278,0.0,0.0,-62.5821409609,1e-05,-61.8350828626785,,,,,,,
UCCSD(T),vqz,0,trail,FeO,-139.7078816357347,0.0,0.0,-139.7113522,1e-05,-138.6685140260192,,,,,,,
UCCSD(T),vdz,0,trail,ScO,-62.41728590435571,0.0,0.0,-62.42004,9.92e-06,-61.829342751826275,,,,,,,
UCCSD(T),vdz,0,trail,VO,-87.08172357277813,0.0,0.0,-87.08577,2.7300000000000003e-05,-86.4002119655646,,,,,,,
UCCSD(T),vdz,0,trail,O,-15.780940991055198,0.0,0.0,-15.78125,0.0,-15.650898615762124,,,,,,,
UCCSD(T),vdz,1,trail,O,-15.30053760534081,0.0,0.0,-15.300670000000002,0.0,-15.209469738930444,,,,,,,
UCCSD(T),vdz,0,trail,Sc,-46.395538091717555,0.0,0.0,-46.39685,5.4e-08,-46.056720086471316,,,,,,,
UCCSD(T),vdz,1,trail,Sc,-46.15618407235456,0.0,0.0,-46.15683,0.0,-45.85651158235275,,,,,,,
UCCSD(T),vdz,0,trail,Ti,-57.88171776090778,0.0,0.0,-57.88305,2.26e-07,-57.52051227493378,,,,,,,
UCCSD(T),vtz,0,trail,Cu,-197.4460022897451,0.0,0.0,-197.44464,4.59e-07,-196.56611793957046,,,,,,,
UCCSD(T),vdz,0,trail,V,-71.07640366831104,0.0,0.0,-71.07767,3.2600000000000003e-07,-70.69525960473436,,,,,,,
UCCSD(T),vdz,1,trail,V,-70.8278361972832,0.0,0.0,-70.8284,3.2e-08,-70.47804713713508,,,,,,,
UCCSD(T),vdz,1,trail,Cr,-86.37192673719818,0.0,0.0,-86.37241,4.6e-08,-85.99840800159254,,,,,,,
UCCSD(T),vtz,1,trail,Cu,-197.1643579767204,0.0,0.0,-197.16304,6.5e-07,-196.32520712735686,,,,,,,
UCCSD(T),vqz,0,trail,Sc,-46.472386821600544,0.0,0.0,-46.474,1.07e-06,-46.057726629346845,,,,,,,
UCCSD(T),vqz,1,trail,O,-15.341863017302975,0.0,0.0,-15.3421,0.0,-15.210758359146777,,,,,,,
UCCSD(T),v5z,0,trail,Fe,-123.74129243383345,0.0,0.0,-123.7418,1.98e-07,-123.03901838784545,,,,,,,
UCCSD(T),v5z,1,trail,Fe,-123.45186692152019,0.0,0.0,-123.45183,3e-08,-122.805367259054,,,,,,,
UCCSD(T),v5z,0,trail,Cu,-197.57860172662342,0.0,0.0,-197.57608,1.068e-06,-196.5663811367177,,,,,,,
UCCSD(T),v5z,1,trail,Cu,-197.2947540285221,0.0,0.0,-197.29251,3.86e-07,-196.3253458468569,,,,,,,
UCCSD(T),vdz,0,trail,CrO,-102.55346627892747,0.0,0.0,-102.55837,2.442e-06,-101.8381354486648,,,,,,,
UCCSD(T),vdz,0,trail,CuO,-213.116218556697,0.0,0.0,-213.12303,3.599e-06,-212.238829673217,,,,,,,
UCCSD(T),vdz,0,trail,TiO,-73.90071992238374,0.0,0.0,-73.90375,6.77e-07,-73.26973605789902,,,,,,,
UCCSD(T),vtz,0,trail,TiO,-74.02804185780609,0.0,0.0,-74.03085,1.99e-05,-73.27527588824228,,,,,,,
UCCSD(T),vqz,0,trail,CrO,-102.7755524782538,0.0,0.0,-102.779756,1e-05,-101.84627163418828,,,,,,,
UCCSD(T),v5z,1,trail,Mn,-103.86282728872845,0.0,0.0,-103.86284,0.0,-103.29970385074444,,,,,,,
UCCSD(T),v5z,0,trail,VO,-87.30308044614706,0.0,0.0,-87.3073938172,1e-05,-86.40843884648703,,,,,,,
UCCSD(T),v5z,0,trail,CuO,-213.5261452266301,0.0,0.0,-213.5291282959,1e-05,-212.2443632841544,,,,,,,
UCCSD(T),vtz,0,trail,CuO,-213.37486402671607,0.0,0.0,-213.37778,1.664e-06,-212.24349945673225,,,,,,,
UCCSD(T),vdz,0,trail,FeO,-139.4301271159618,0.0,0.0,-139.43599,5.4039999999999986e-06,-138.66009692442393,,,,,,,
UCCSD(T),vdz,0,trail,MnO,-119.8454938195788,0.0,0.0,-119.85051,1e-05,-119.1332394993054,,,,,,,
UCCSD(T),vtz,0,trail,VO,-87.23126134297856,0.0,0.0,-87.23526,2e-05,-86.40670018837703,,,,,,,
UCCSD(T),vtz,0,trail,ScO,-62.527621753208855,0.0,0.0,-62.53013000000001,9.96e-06,-61.83374588456312,,,,,,,
UCCSD(T),vqz,0,trail,ScO,-62.56612599404671,0.0,0.0,-62.56845381,1e-05,-61.834924297751634,,,,,,,
UCCSD(T),vqz,0,trail,CuO,-213.48158043626012,0.0,0.0,-213.4842442,1e-05,-212.24422133071548,,,,,,,
UCCSD(T),vtz,0,trail,FeO,-139.63191925919023,0.0,0.0,-139.63546000000002,2e-05,-138.667246980313,,,,,,,
UCCSD(T),vtz,0,trail,CrO,-102.71466266116148,0.0,0.0,-102.71867,1.99e-05,-101.84420581490784,,,,,,,
UCCSD(T),v5z,0,trail,Mn,-104.13488088729972,0.0,0.0,-104.13542,4.9e-08,-103.51775094214493,,,,,,,
UCCSD(T),v5z,1,trail,Cr,-86.53605562617149,0.0,0.0,-86.53627,0.0,-85.99871084112391,,,,,,,
UCCSD(T),v5z,0,trail,Cr,-86.78498257358402,0.0,0.0,-86.78532,0.0,-86.21910985180031,,,,,,,
UCCSD(T),v5z,0,trail,CrO,-102.79774493938784,0.0,0.0,-102.8027368164,1e-05,-101.84668971203637,,,,,,,
UCCSD(T),vqz,1,trail,Sc,-46.232373195166645,0.0,0.0,-46.23311,9.94e-07,-45.859964744612796,,,,,,,
UCCSD(T),vqz,0,trail,Ti,-57.98136602548021,0.0,0.0,-57.983000000000004,2.24e-06,-57.52332478221496,,,,,,,
UCCSD(T),vqz,1,trail,Ti,-57.73183768623279,0.0,0.0,-57.73256,7.33e-07,-57.319727268097715,,,,,,,
UCCSD(T),vqz,0,trail,V,-71.20422204806765,0.0,0.0,-71.20578,1e-05,-70.69711953301085,,,,,,,
UCCSD(T),vqz,1,trail,V,-70.9571086872763,0.0,0.0,-70.95759,8.42e-07,-70.47878254097698,,,,,,,
UCCSD(T),vqz,0,trail,Cr,-86.7672093699367,0.0,0.0,-86.76760999999998,0.0,-86.21909581115591,,,,,,,
UCCSD(T),vqz,1,trail,Cr,-86.51849100915524,0.0,0.0,-86.51867,1.764e-06,-85.99861621753384,,,,,,,
UCCSD(T),vqz,0,trail,Mn,-104.11434621282784,0.0,0.0,-104.11501,3.37e-06,-103.51774137665831,,,,,,,
UCCSD(T),vqz,1,trail,Mn,-103.84263303812263,0.0,0.0,-103.84272,2.375e-06,-103.29943473113407,,,,,,,
UCCSD(T),vqz,0,trail,Fe,-123.716045691013,0.0,0.0,-123.71675,1.63e-05,-123.03893433543683,,,,,,,
UCCSD(T),vqz,0,trail,Cu,-197.5385379725996,0.0,0.0,-197.53642,1.98e-05,-196.5663491464669,,,,,,,
UCCSD(T),vqz,1,trail,Cu,-197.255395094616,0.0,0.0,-197.25343,3.012e-06,-196.32534219464927,,,,,,,
UCCSD(T),v5z,0,trail,O,-15.842771458186688,0.0,0.0,-15.84317,0.0,-15.651935198107855,,,,,,,
UCCSD(T),v5z,1,trail,O,-15.344564764066364,0.0,0.0,-15.34479,0.0,-15.210911583355957,,,,,,,
UCCSD(T),v5z,0,trail,Sc,-46.48054490795406,0.0,0.0,-46.48213,0.0,-46.05773792407675,,,,,,,
UCCSD(T),v5z,1,trail,Sc,-46.24045566404746,0.0,0.0,-46.24115,1.398e-05,-45.86020861913251,,,,,,,
UCCSD(T),v5z,0,trail,Ti,-57.99212889389654,0.0,0.0,-57.99386,0.0,-57.52335292738408,,,,,,,
UCCSD(T),v5z,1,trail,Ti,-57.742483320269784,0.0,0.0,-57.74316,0.0,-57.320045716102676,,,,,,,
UCCSD(T),v5z,0,trail,V,-71.21818471039809,0.0,0.0,-71.21983,0.0,-70.69714489237121,,,,,,,
UCCSD(T),v5z,1,trail,V,-70.97139713879041,0.0,0.0,-70.97182,0.0,-70.47890119732277,,,,,,,
UCCSD(T),vqz,0,trail,O,-15.838667503657177,0.0,0.0,-15.83909,5.31e-06,-15.651914835093455,,,,,,,
UCCSD(T),vqz,1,trail,Fe,-123.42704482339545,0.0,0.0,-123.42709,3.122e-06,-122.80506201856676,,,,,,,
iFCIQMC,vqz,0,trail,Ti,-57.983518,1.2e-05,0.0,-57.983000000000004,2.24e-06,-57.52332478221496,,,,,,,
iFCIQMC,vqz,1,trail,Ti,-57.732624,8.46e-06,0.0,-57.73256,7.33e-07,-57.319727268097715,,,,,,,
iFCIQMC,vtz,0,trail,Sc,-46.451289,4.88e-05,0.0,-46.4523,8.800000000000002e-08,-46.05746799644578,,,,,,,
iFCIQMC,vtz,1,trail,Cu,-197.163711,0.000235,0.0,-197.16304,6.5e-07,-196.32520712735686,,,,,,,
iFCIQMC,vtz,1,trail,Ti,-57.703594,3.2899999999999987e-05,0.0,-57.70424000000001,5.7e-08,-57.318310870851406,,,,,,,
iFCIQMC,vtz,1,trail,Sc,-46.211062,2.93e-05,0.0,-46.21149000000001,0.0,-45.85935928101564,,,,,,,
iFCIQMC,vtz,0,trail,Ti,-57.953019,0.00011,0.0,-57.95463,3.67e-07,-57.522468837232104,,,,,,,
iFCIQMC,vtz,0,trail,Cu,-197.445155,0.000365,0.0,-197.44464,4.59e-07,-196.56611793957046,,,,,,,
iFCIQMC,vtz,0,trail,Fe,-123.656168,0.000123,0.0,-123.6572,5.71e-07,-123.03857246947872,,,,,,,
iFCIQMC,vtz,0,trail,Cr,-86.720895,7.11e-05,0.0,-86.72091999999998,4.48e-07,-86.21884242573502,,,,,,,
iFCIQMC,vtz,1,trail,Mn,-103.792007,7.03e-05,0.0,-103.79214,1.99e-07,-103.29880070636771,,,,,,,
iFCIQMC,vtz,0,trail,V,-71.167684,4.2100000000000014e-05,0.0,-71.16898,1.017e-06,-70.69687058820543,,,,,,,
iFCIQMC,vqz,0,trail,V,-71.20450699999998,1.52e-05,0.0,-71.20578,1e-05,-70.69711953301085,,,,,,,
iFCIQMC,vqz,0,trail,Fe,-123.71534,1.6800000000000002e-05,0.0,-123.71675,1.63e-05,-123.03893433543683,,,,,,,
iFCIQMC,vqz,1,trail,Fe,-123.426509,8.5e-06,0.0,-123.42709,3.122e-06,-122.80506201856676,,,,,,,
iFCIQMC,vqz,1,trail,Sc,-46.232722,3.91e-06,0.0,-46.23311,9.94e-07,-45.859964744612796,,,,,,,
iFCIQMC,vqz,0,trail,Mn,-104.114045,1.63e-05,0.0,-104.11501,3.37e-06,-103.51774137665831,,,,,,,
iFCIQMC,vqz,1,trail,Mn,-103.842296,7.68e-06,0.0,-103.84272,2.375e-06,-103.29943473113407,,,,,,,
iFCIQMC,vqz,0,trail,Cr,-86.76763100000002,2.1e-05,0.0,-86.76760999999998,0.0,-86.21909581115591,,,,,,,
iFCIQMC,vqz,1,trail,Cr,-86.518293,1.1e-05,0.0,-86.51867,1.764e-06,-85.99861621753384,,,,,,,
iFCIQMC,vqz,0,trail,Cu,-197.535026,6.56e-05,0.0,-197.53642,1.98e-05,-196.5663491464669,,,,,,,
iFCIQMC,vqz,1,trail,Cu,-197.252789,5.5399999999999985e-05,0.0,-197.25343,3.012e-06,-196.32534219464927,,,,,,,
iFCIQMC,vqz,1,trail,V,-70.957084,8.58e-06,0.0,-70.95759,8.42e-07,-70.47878254097698,,,,,,,
iFCIQMC,vtz,1,trail,Cr,-86.472678,5.62e-05,0.0,-86.47298,2.01e-07,-85.99858355154308,,,,,,,
iFCIQMC,vtz,0,trail,Mn,-104.062857,0.00014099999999999998,0.0,-104.06366,9.9e-07,-103.51751723050371,,,,,,,
iFCIQMC,vtz,1,trail,Fe,-123.368196,6.2e-05,0.0,-123.36857,5.41e-07,-122.80424852863449,,,,,,,
iFCIQMC,vdz,0,trail,O,-15.781249,7.55e-07,0.0,-15.78125,0.0,-15.650898615762124,,,,,,,
iFCIQMC,vdz,1,trail,O,-15.300667,7.2400000000000015e-09,0.0,-15.300670000000002,0.0,-15.209469738930444,,,,,,,
iFCIQMC,vtz,0,trail,O,-15.827007,5.529999999999999e-07,0.0,-15.82702,0.0,-15.65178729066239,,,,,,,
iFCIQMC,vtz,1,trail,O,-15.333584,4.13e-08,0.0,-15.33358,0.0,-15.210120374674373,,,,,,,
iFCIQMC,vqz,0,trail,O,-15.839077,1.29e-06,0.0,-15.83909,5.31e-06,-15.651914835093455,,,,,,,
iFCIQMC,vqz,1,trail,O,-15.342101,1.02e-07,0.0,-15.3421,0.0,-15.210758359146777,,,,,,,
iFCIQMC,vdz,0,trail,Cr,-86.611972,3.07e-05,0.0,-86.61203,1.24e-07,-86.21795636713652,,,,,,,
iFCIQMC,vdz,1,trail,Cr,-86.372452,2.77e-05,0.0,-86.37241,4.6e-08,-85.99840800159254,,,,,,,
iFCIQMC,vdz,0,trail,Cu,-197.237561,0.000118,0.0,-197.2369,1.152e-06,-196.56440183256336,,,,,,,
iFCIQMC,vdz,1,trail,Cu,-196.967255,5.44e-05,0.0,-196.96723,1.474e-06,-196.32402730647453,,,,,,,
iFCIQMC,vdz,0,trail,Ti,-57.882215,6.659999999999999e-05,0.0,-57.88305,2.26e-07,-57.52051227493378,,,,,,,
iFCIQMC,vdz,1,trail,Ti,-57.63371400000001,2.3e-05,0.0,-57.63401999999999,1.1e-08,-57.31379021206569,,,,,,,
iFCIQMC,vdz,0,trail,Mn,-103.942084,4.45e-05,0.0,-103.94226,4.56e-07,-103.51554736964935,,,,,,,
iFCIQMC,vdz,1,trail,Mn,-103.673368,3.68e-05,0.0,-103.67336,4.2e-08,-103.29335920887651,,,,,,,
iFCIQMC,vdz,0,trail,Fe,-123.517919,5.6600000000000014e-05,0.0,-123.51812,6.459999999999999e-07,-123.03606101031244,,,,,,,
iFCIQMC,vdz,1,trail,Fe,-123.233421,1.53e-06,0.0,-123.23354,1.2e-07,-122.79860715251272,,,,,,,
iFCIQMC,vdz,0,trail,V,-71.077005,4.18e-05,0.0,-71.07767,3.2600000000000003e-07,-70.69525960473436,,,,,,,
iFCIQMC,vdz,1,trail,V,-70.828236,4.62e-06,0.0,-70.8284,3.2e-08,-70.47804713713508,,,,,,,
iFCIQMC,vdz,0,trail,Sc,-46.396616,2.13e-06,0.0,-46.39685,5.4e-08,-46.056720086471316,,,,,,,
iFCIQMC,vdz,1,trail,Sc,-46.15671,1.14e-06,0.0,-46.15683,0.0,-45.85651158235275,,,,,,,
iFCIQMC,vtz,1,trail,V,-70.919164,6.22e-05,0.0,-70.91955,1.62e-07,-70.47870620861032,,,,,,,
iFCIQMC,vdz,0,trail,ScO,-62.41931700000001,1.74e-05,0.0,-62.42004,9.92e-06,-61.829342751826275,,,,,,,
iFCIQMC,vqz,0,trail,Sc,-46.473197,5.55e-06,0.0,-46.474,1.07e-06,-46.057726629346845,,,,,,,