%chk=000227815.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227815

0 1
S 0.131488 0.257658 1.536857
O -1.560692 2.924211 -0.610371
O -4.277496 -0.041728 -0.157012
N -2.125810 0.705616 -0.412737
C 1.068798 1.255623 0.311733
C 0.241807 1.393672 -0.960953
C 2.413587 0.626548 0.104264
C -1.189468 1.769495 -0.631005
C -1.653872 -0.666107 -0.321242
C -0.594295 -0.992276 0.543655
C 3.541842 1.220276 0.694503
C 2.569618 -0.546295 -0.651319
C -2.264956 -1.675913 -1.082441
C -0.144224 -2.307212 0.655130
C -3.550326 0.924711 -0.161257
C -1.815167 -2.993471 -0.960646
C -0.760656 -3.311965 -0.098201
C 4.805826 0.648695 0.527581
C 3.835794 -1.113012 -0.816290
C 4.956479 -0.517491 -0.228940
C -4.002714 2.322540 0.062539
H 1.170358 2.262536 0.800131
H 0.294751 0.480454 -1.592349
H 0.674984 2.199666 -1.600391
H 3.437102 2.126568 1.289325
H 1.702827 -1.026086 -1.105360
H -3.108364 -1.437617 -1.734084
H 0.681045 -2.551761 1.328069
H -2.297508 -3.779961 -1.542855
H -0.421522 -4.342946 -0.009215
H 5.675531 1.113988 0.989694
H 3.949001 -2.023189 -1.403525
H 5.941846 -0.960933 -0.358651
H -5.075855 2.353270 0.304192
H -3.828770 2.967175 -0.819157
H -3.449789 2.817663 0.880928


%chk=000227815-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227815

0 1
S 0.147079 0.080253 1.695434
O -1.418253 2.950800 -0.589949
O -4.304357 0.017672 0.216587
N -2.143927 0.707660 -0.356897
C 1.108473 1.133894 0.356630
C 0.250873 1.225886 -0.927620
C 2.513152 0.617482 0.128435
C -1.163887 1.716523 -0.613563
C -1.733380 -0.689466 -0.298092
C -0.710314 -1.111170 0.594766
C 3.616658 1.328200 0.666942
C 2.762893 -0.569332 -0.611925
C -2.381293 -1.638979 -1.121332
C -0.357058 -2.480452 0.656670
C -3.539687 0.982145 -0.035607
C -2.032338 -3.003242 -1.045177
C -1.023683 -3.428484 -0.149719
C 4.938773 0.871160 0.468254
C 4.081959 -1.027960 -0.809471
C 5.176164 -0.309148 -0.271760
C -4.028511 2.414888 -0.017344
H 1.134358 2.125518 0.840671
H 0.241763 0.258673 -1.456143
H 0.712020 1.978375 -1.591422
H 3.438431 2.244746 1.242857
H 1.925981 -1.145405 -1.023895
H -3.171821 -1.306928 -1.799665
H 0.441304 -2.786582 1.339889
H -2.549145 -3.730181 -1.680269
H -0.751779 -4.487330 -0.084937
H 5.779326 1.434320 0.888662
H 4.258953 -1.945564 -1.381663
H 6.200218 -0.666054 -0.427423
H -5.103798 2.385317 0.216720
H -3.855945 2.920659 -0.981659
H -3.488002 3.014510 0.733614


