%chk=000189169.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189169

0 1
S -2.367217 -1.279165 0.918604
S 3.247869 -1.242140 -1.903016
O -0.238463 -3.379002 1.015328
O 2.157384 -3.294458 -0.015406
O 0.277619 3.069702 2.045284
O 1.239769 2.523612 0.106396
O -4.913145 0.103323 1.984143
O 4.418661 0.058474 2.106073
O -4.248122 1.254558 0.176530
O 4.546178 -1.556292 0.565989
N -2.007040 3.287549 0.315556
N -5.814024 -0.910433 -1.122496
N 4.866872 1.906134 0.123456
C -1.269798 1.174766 -0.753506
C -0.415833 -0.052802 -0.631898
C -1.195292 2.053059 0.510123
C -0.818883 -1.181754 0.120607
C 0.825987 -0.065359 -1.258227
C 1.699769 -1.152684 -1.094891
C 0.044260 -2.262934 0.298979
C 1.356067 -2.234373 -0.289697
C -3.508436 -1.739864 -0.427909
C -4.862429 -1.151948 -0.017279
C 4.029526 0.362151 -1.574626
C 0.230114 2.550136 0.770516
C 3.932122 0.762746 -0.103167
C -4.618637 0.206161 0.652769
C 4.347375 -0.391469 0.804603
H -2.336339 0.913956 -0.945319
H -0.965291 1.780498 -1.638300
H -1.507759 1.448118 1.407332
H 1.139237 0.792838 -1.859293
H -3.147727 -1.340458 -1.394771
H -3.554799 -2.838010 -0.538912
H -5.369018 -1.832263 0.730972
H 5.094032 0.250019 -1.887379
H 3.593869 1.148449 -2.221168
H -2.206972 3.723767 1.213779
H -2.904091 3.060509 -0.120372
H 2.857442 1.021468 0.154732
H -1.139197 -3.337217 1.457405
H 3.139521 -3.070386 -0.176707
H -5.421119 -0.304115 -1.839273
H -6.101524 -1.780522 -1.559929
H 4.955464 2.102255 1.121055
H 4.497719 2.746366 -0.318273
H 1.162156 3.450218 2.283262
H -4.788700 0.954700 2.483930
H 4.688339 -0.653483 2.746395


%chk=000189169-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189169

0 1
S -2.311149 -1.119445 1.058276
S 3.344415 -1.261920 -2.141123
O -0.266505 -3.352421 0.953418
O 2.148269 -3.398060 -0.308627
O -0.001736 3.884541 1.805895
O 1.283546 2.619442 0.359734
O -6.079088 0.416023 1.501754
O 5.754780 -0.255396 1.975763
O -4.641884 1.252207 -0.120539
O 6.235088 -1.231544 -0.073503
N -2.232645 3.222367 0.405159
N -5.911761 -1.586225 -0.975183
N 4.257127 1.638107 0.661152
C -1.153589 1.331291 -0.744855
C -0.327162 0.058554 -0.661640
C -1.178311 2.202385 0.544015
C -0.723970 -1.075753 0.104402
C 0.888295 -0.029533 -1.373511
C 1.716570 -1.166819 -1.276654
C 0.092068 -2.237065 0.202995
C 1.342966 -2.276389 -0.477050
C -3.537322 -1.521687 -0.355697
C -4.973763 -1.217452 0.097763
C 4.154183 0.284830 -1.383602
C 0.157262 2.885199 0.834922
C 4.248968 0.253938 0.156860
C -5.153386 0.268815 0.465939
C 5.505714 -0.487479 0.612608
H -2.214887 1.095372 -0.948608
H -0.798281 1.961627 -1.577916
H -1.338655 1.510034 1.410434
H 1.205879 0.822673 -1.980957
H -3.246827 -0.896815 -1.215858
H -3.449861 -2.586197 -0.615548
H -5.222730 -1.816785 0.990002
H 5.147586 0.346310 -1.854644
H 3.548233 1.149320 -1.692163
H -2.249098 3.912250 1.161047
H -3.148849 2.814236 0.187926
H 3.390813 -0.347689 0.549830
H -1.143511 -3.151868 1.395819
H 3.017471 -3.225851 -0.777522
H -5.818578 -1.052097 -1.843402
H -6.878188 -1.748971 -0.684859
H 4.647918 1.728642 1.603181
H 3.352064 2.110199 0.543932
H 0.876825 4.313713 1.992679
H -6.249559 1.381903 1.676490
H 6.562754 -0.766114 2.253468


