Geometry for ammonia. atom & x & y & z N & 0.0000000000000 & 0.0000000000000 & 0.0000000000000 H & 0.0000000000000 & 0.0000000000000 & 1.0141884635000 H & 0.9722262947221 & 0.0000000000000 & -0.2877117192551 H & -0.3866564451307 & -0.8920318164661 & -0.2877117192551 Geometry for formaldehyde atom & x & y & z O & 0.0000000000000 & 0.0000000000000 & 0.0000000000000 C & 0.0000000000000 & 0.0000000000000 & 1.1998577370000 H & 0.9369230569270 & 0.0000000000000 & 1.7885795046292 H & -0.9369230569270 & 0.0000000000000 & 1.7885795046292 Geometry for transition state #1 (ammonia+formaldehyde) atom & x & y & z N & 0.0000000000000 & 0.0000000000000 & 0.0000000000000 C & 0.0000000000000 & 0.0000000000000 & 1.5843876532000 O & 1.3268837112519 & 0.0000000000000 & 1.7410676408991 H & -0.3691539435124 & -0.8336901130763 & -0.4490956442016 H & -0.3631605001333 & 0.8366888213139 & -0.4483032152738 H & -0.5594636703232 & 0.8984852223094 & 1.9001385714186 H & -0.5591343872703 & -0.8994665053243 & 1.8988541274420 H & 1.1378517202149 & -0.0018988097578 & 0.3412417016124 Geometry for aminomethanol atom & x & y & z N & 0.0000000000000 & 0.0000000000000 & 0.0000000000000 C & 0.0000000000000 & 0.0000000000000 & 1.4380669284000 O & 1.2820747992013 & 0.0000000000000 & 2.0740189979613 H & 0.5657837377401 & -0.7566646507275 & -0.3638314440938 H & 0.3496459707302 & 0.8701754653024 & -0.3813217278531 H & -0.5942959853476 & 0.8530557152119 & 1.7775757584241 H & -0.4769046620119 & -0.9139223538174 & 1.7883090361815 H & 1.6911105284372 & 0.8608638484430 & 1.9389453497317 Geometry for transition state #2 (water+imine) atom & x & y & z O & 0.0000000000000 & 0.0000000000000 & 0.0000000000000 H & 0.0000000000000 & 0.0000000000000 & 1.2824478194000 N & 1.0290406695545 & 0.0000000000000 & 2.0554527257564 C & 1.6155874630923 & -0.3760963838510 & 0.9109052611784 H & 1.2502580267367 & 0.9677093577925 & 2.2725286174727 H & 2.3722912575875 & 0.2198389043536 & 0.4068337595816 H & 1.6216229675463 & -1.4327932210215 & 0.6660865869843 H & -0.4382033110516 & -0.7395829315353 & -0.4448633375480 Geometry for water atom & x & y & z O & 0.0000000000000 & 0.0000000000000 & 0.0000000000000 H & 0.0000000000000 & 0.0000000000000 & 0.9616229062000 H & 0.9304177983672 & 0.0000000000000 & -0.2429842262576 Geometry for imine atom & x & y & z N & 0.0000000000000 & 0.0000000000000 & 0.0000000000000 C & 0.0000000000000 & 0.0000000000000 & 1.2640707739000 H & 0.9536983299391 & 0.0000000000000 & -0.3660720458042 H & 0.8975274435092 & 0.0002654608506 & 1.8902959237014 H & -0.9530880382316 & 0.0000011614524 & 1.7921749554776