%chk=000215906.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215906

0 1
S -4.525105 -1.570757 -1.765661
O -1.356114 0.338940 2.026725
N 2.897230 1.158819 0.882125
N -0.749706 0.976070 -0.083523
N -2.865022 -0.145843 0.304919
C 1.620703 0.462590 0.520704
C 0.526291 1.549605 0.423521
C 4.086767 0.431522 0.329296
C 5.273841 1.410514 0.238179
C -1.616475 0.394203 0.835434
C -3.750882 0.698488 -0.441328
C -3.284766 -1.467092 0.687949
C 3.007036 1.326190 2.361621
C 6.431993 0.763991 -0.469170
C -0.931795 0.896873 -1.549172
C -4.597477 0.144364 -1.418989
C -4.077327 -2.219282 -0.199618
C -3.784435 2.086627 -0.205402
C -2.911131 -2.031547 1.921139
C -5.470639 0.948328 -2.149211
C -4.494894 -3.508667 0.127091
C 7.368194 0.007377 0.252817
C 6.581014 0.905698 -1.857523
C -4.645693 2.888859 -0.955765
C -3.313590 -3.330577 2.233197
C -5.485964 2.328619 -1.924617
C -4.101324 -4.071549 1.344583
C 8.441464 -0.596163 -0.407642
C 7.656283 0.300350 -2.513096
C 8.588547 -0.451360 -1.790855
H 1.314515 -0.317689 1.251321
H 1.727524 -0.050565 -0.458386
H 0.852113 2.373360 -0.248894
H 0.345650 2.001681 1.427981
H 4.373440 -0.459478 0.927328
H 3.843410 0.063778 -0.692348
H 5.571489 1.750008 1.250512
H 4.949704 2.334470 -0.286349
H 2.126626 1.875093 2.734231
H 3.084302 0.385679 2.927618
H 3.892909 1.941205 2.587420
H -1.584065 1.717165 -1.900900
H 0.037141 0.976840 -2.068378
H -1.393187 -0.061822 -1.851380
H -3.154075 2.533446 0.562564
H -2.314231 -1.453211 2.635947
H -6.136329 0.507362 -2.893422
H -5.121717 -4.077917 -0.561215
H 7.259568 -0.109344 1.328848
H 5.858798 1.489182 -2.424842
H -4.668361 3.964204 -0.775698
H -3.015419 -3.767318 3.186896
H -6.157646 2.964557 -2.497547
H -4.413063 -5.081244 1.602847
H 9.165698 -1.180636 0.157348
H 7.768356 0.415280 -3.589918
H 9.425227 -0.920978 -2.302810


%chk=000215906-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215906

0 1
S -4.603848 -1.663517 -1.756171
O -1.162853 0.015645 1.953888
N 2.924723 0.958278 0.767817
N -0.738158 0.632951 -0.249076
N -2.866897 -0.285724 0.309367
C 1.711782 0.282063 0.246120
C 0.525714 1.278333 0.173225
C 4.188406 0.452697 0.182618
C 5.390458 1.405255 0.431177
C -1.554112 0.118949 0.747954
C -3.673094 0.632707 -0.452686
C -3.492334 -1.477925 0.835506
C 2.946443 0.997726 2.247883
C 6.618115 0.963685 -0.350431
C -0.965532 0.468488 -1.696316
C -4.574150 0.142195 -1.430871
C -4.365914 -2.210037 -0.012956
C -3.608590 2.029023 -0.216783
C -3.280081 -1.940185 2.159808
C -5.390788 1.023369 -2.169836
C -5.017660 -3.373970 0.441903
C 7.514079 -0.000332 0.181112
C 6.870553 1.473057 -1.650849
C -4.396719 2.915540 -0.980682
C -3.903069 -3.128542 2.600199
C -5.290420 2.417006 -1.958015
C -4.774140 -3.847055 1.751076
C 8.630282 -0.443636 -0.564004
C 7.985587 1.034284 -2.400049
C 8.869911 0.072147 -1.858895
H 1.405351 -0.587742 0.871906
H 1.929258 -0.101878 -0.768564
H 0.770314 2.088062 -0.538072
H 0.364772 1.725092 1.168202
H 4.453732 -0.567217 0.565472
H 4.045154 0.359812 -0.910441
H 5.624136 1.434722 1.511771
H 5.077022 2.422726 0.131828
H 1.957872 1.301404 2.630590
H 3.192982 0.003444 2.697493
H 3.686057 1.734213 2.605949
H -1.404617 1.377228 -2.150869
H 0.000747 0.260052 -2.189552
H -1.642344 -0.379948 -1.885464
H -2.939949 2.410931 0.561602
H -2.616378 -1.369933 2.812442
H -6.092119 0.620122 -2.907759
H -5.701343 -3.907235 -0.226831
H 7.339586 -0.398579 1.188787
H 6.191750 2.224667 -2.073710
H -4.327394 3.993232 -0.798172
H -3.715523 -3.481968 3.619894
H -5.912558 3.103507 -2.541503
H -5.267112 -4.759839 2.101469
H 9.313638 -1.185751 -0.135242
H 8.167670 1.444259 -3.400210
H 9.736997 -0.267560 -2.436545


