%chk=000210228.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210228

0 1
S -2.790244 -0.730016 -1.073504
S 3.160798 1.305029 2.135460
P 3.778087 0.843682 0.402242
O -3.627340 0.398763 -1.447746
O -2.858264 -1.944934 -1.863794
O 2.745376 1.226582 -0.847468
O 4.088013 -0.726566 0.076637
O 5.132243 1.561654 -0.152496
N -3.124912 -1.200457 0.549388
C -3.035266 -0.154889 1.600553
C -4.201969 -2.211304 0.717932
C -4.072619 0.976640 1.498165
C -5.621639 -1.705166 0.407152
C -1.151903 -0.180444 -0.978219
C -3.858246 2.018872 2.588800
C -6.655291 -2.802298 0.635026
C -0.874987 1.188478 -1.091729
C -0.114258 -1.103617 -0.810594
C 0.437497 1.648570 -1.012736
C 1.210998 -0.671898 -0.731090
C 1.459855 0.703853 -0.826517
C 4.974176 -1.430356 1.015361
C 5.222786 3.021403 0.001932
C 4.895654 -2.864391 0.532159
C 6.617137 3.321399 -0.509794
H -2.003584 0.267345 1.570203
H -3.124011 -0.653081 2.593666
H -4.156837 -2.599132 1.760039
H -3.953923 -3.075168 0.052135
H -5.099415 0.551742 1.567802
H -4.032979 1.456045 0.494659
H -5.683016 -1.342694 -0.640075
H -5.856503 -0.819105 1.038681
H -4.597931 2.825063 2.510004
H -2.866771 2.481913 2.520865
H -3.952742 1.587114 3.591719
H -7.665887 -2.442396 0.407119
H -6.658495 -3.153195 1.672844
H -6.469670 -3.671031 -0.008937
H -1.695513 1.902726 -1.243923
H -0.335129 -2.175467 -0.747362
H 0.681419 2.705909 -1.094894
H 2.025931 -1.392289 -0.618864
H 5.991848 -1.007511 0.909918
H 4.598976 -1.316440 2.051234
H 4.437771 3.488007 -0.623530
H 5.098841 3.294730 1.068045
H 5.624881 -3.501816 1.046238
H 3.896730 -3.291871 0.692448
H 5.094122 -2.926580 -0.548934
H 6.806733 4.400497 -0.548804
H 7.386880 2.861216 0.124528
H 6.761694 2.913482 -1.521743


%chk=000210228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210228

0 1
S -2.967014 -0.752896 -0.940940
S 3.548140 0.871571 2.433210
P 4.009828 0.666056 0.437639
O -3.781376 0.474374 -1.661198
O -3.010901 -2.251801 -1.579848
O 2.791206 1.116812 -0.736652
O 4.402581 -0.900317 -0.158380
O 5.326788 1.576334 -0.183661
N -3.389127 -0.995125 0.858425
C -3.457927 0.276052 1.625006
C -4.400907 -2.069977 1.055911
C -4.716857 1.174752 1.507390
C -5.801236 -1.901680 0.410661
C -1.175568 -0.183861 -0.803048
C -4.495607 2.512734 2.246465
C -6.674317 -3.148341 0.670906
C -0.880088 1.143177 -1.156183
C -0.199780 -1.120015 -0.422171
C 0.465008 1.563132 -1.094867
C 1.145563 -0.700928 -0.373369
C 1.460337 0.639855 -0.703115
C 5.527193 -1.643635 0.501046
C 5.534877 2.984078 0.283598
C 5.560627 -3.020658 -0.152263
C 6.928607 3.383768 -0.188709
H -2.565973 0.871364 1.343381
H -3.303813 -0.016349 2.684347
H -4.493162 -2.172571 2.156551
H -3.952713 -3.005339 0.674106
H -5.593985 0.658206 1.939948
H -4.931513 1.358978 0.438877
H -5.675945 -1.761904 -0.679758
H -6.305728 -0.998585 0.796966
H -5.397179 3.148724 2.192161
H -3.657225 3.080077 1.799808
H -4.261518 2.351206 3.316393
H -7.666274 -3.041731 0.196643
H -6.834122 -3.313225 1.753816
H -6.199151 -4.056513 0.255328
H -1.681662 1.814926 -1.480398
H -0.478776 -2.151175 -0.186350
H 0.755390 2.585253 -1.352400
H 1.942860 -1.402320 -0.109752
H 6.461233 -1.079105 0.326244
H 5.326471 -1.701274 1.588174
H 4.749175 3.616155 -0.169284
H 5.441127 3.013665 1.386213
H 6.384535 -3.616686 0.281760
H 4.613491 -3.560349 0.016675
H 5.726728 -2.932972 -1.238833
H 7.133077 4.429562 0.106205
H 7.698021 2.735737 0.263810
H 7.005682 3.309388 -1.286282


