%chk=000293065.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293065

0 1
S -3.351938 -1.886047 -1.079325
S 4.353925 -0.310959 0.862394
O 0.379638 3.018671 -0.335830
O -0.515288 1.888532 -2.078790
O -2.681713 -2.862593 -1.898603
O -4.447565 -1.098935 -1.573790
O 3.814483 1.024639 0.950111
O 5.492514 -0.726843 1.644106
N -2.162103 -0.779064 -0.512287
N -3.821435 -2.698855 0.369339
N 3.129535 -1.435044 1.302640
N 4.688571 -0.622358 -0.790671
C -1.050274 1.245252 0.256271
C -2.394478 0.576515 -0.138924
C -1.515192 2.176860 1.395937
C -0.167975 0.038363 0.464105
C -2.996371 2.494567 1.027586
C -0.841239 -1.117744 -0.054319
C -3.464147 1.296569 0.227859
C -0.415016 2.045059 -0.888180
C 1.124037 -0.047825 0.932622
C -0.220304 -2.360118 -0.073386
C 1.766512 -1.311249 0.890302
C 1.094161 -2.446763 0.410295
C -4.715243 -1.909961 1.253661
C -4.292210 -4.090814 0.153794
C 1.281601 3.772830 -1.211760
C 2.659028 3.163817 -1.080552
C 5.363728 -1.916159 -1.057466
C 3.587122 -0.323596 -1.736518
H -1.447844 1.663393 2.369811
H -0.898472 3.088781 1.476324
H -3.614852 2.638960 1.928657
H -3.068116 3.426947 0.437814
H -4.505159 1.110044 0.033493
H 1.645893 0.842995 1.307596
H -0.720929 -3.243364 -0.476494
H 1.596151 -3.413623 0.396139
H 3.333940 -2.216570 1.932745
H -4.188033 -0.997140 1.588131
H -5.669133 -1.614847 0.782391
H -4.950725 -2.487320 2.164754
H -4.281933 -4.629217 1.118562
H -5.308331 -4.165465 -0.266370
H -3.592581 -4.625731 -0.518471
H 1.212800 4.788070 -0.781459
H 0.890812 3.758381 -2.244987
H 2.743399 2.197996 -1.606622
H 2.910493 2.945262 -0.024318
H 3.438032 3.828183 -1.469001
H 4.700833 -2.793842 -0.996519
H 5.803503 -1.893403 -2.071476
H 6.206259 -2.050953 -0.350823
H 3.975675 -0.334976 -2.770755
H 2.738905 -1.027121 -1.689047
H 3.204748 0.709011 -1.556295


%chk=000293065-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293065

0 1
S -2.877978 -1.363329 -1.223640
S 4.475441 -0.292302 0.499492
O 0.371626 3.128095 -0.263435
O -1.235228 1.944454 -1.477701
O -1.659257 -1.747459 -2.251413
O -4.244438 -0.703357 -1.855494
O 3.884271 1.153410 0.053299
O 5.933145 -0.455266 1.186750
N -2.349074 -0.418167 0.938039
N -3.287374 -3.101149 -0.371699
N 3.119476 -0.935839 2.059413
N 4.618807 -1.258052 -1.160202
C -1.096415 1.702734 1.003379
C -2.454396 0.981916 0.957561
C -1.426230 2.876452 1.977676
C -0.180453 0.520122 1.309031
C -2.930733 3.186772 1.634966
C -0.984804 -0.677388 1.162591
C -3.493708 1.826320 1.245275
C -0.695523 2.251078 -0.393632
C 1.178121 0.434079 1.581522
C -0.409907 -1.971049 1.301216
C 1.769183 -0.873110 1.741109
C 0.955149 -2.057123 1.582872
C -4.548358 -2.929642 0.400332
C -3.399224 -4.131263 -1.444243
C 0.949930 3.687780 -1.534208
C 1.909151 2.690644 -2.184913
C 5.236676 -2.585268 -0.986633
C 3.397225 -1.189770 -1.987105
H -1.352155 2.522053 3.021253
H -0.758361 3.740640 1.844627
H -3.477999 3.632857 2.485124
H -3.008599 3.908663 0.794221
H -4.552666 1.558203 1.264879
H 1.817201 1.316305 1.668880
H -1.040809 -2.852216 1.145297
H 1.433364 -3.039736 1.684981
H 3.462971 -1.903901 2.228579
H -4.421919 -2.092756 1.105798
H -5.441518 -2.752473 -0.235063
H -4.704288 -3.859459 0.980352
H -3.393065 -5.118984 -0.944826
H -4.322082 -4.048063 -2.057317
H -2.514551 -4.061505 -2.098549
H 1.466318 4.597731 -1.190249
H 0.112244 3.949674 -2.204917
H 1.358290 1.813925 -2.567157
H 2.679711 2.358231 -1.467551
H 2.414598 3.177126 -3.040224
H 4.514641 -3.388959 -0.722995
H 5.714863 -2.855047 -1.947582
H 6.029854 -2.517294 -0.222898
H 3.705463 -1.339582 -3.039751
H 2.633969 -1.955546 -1.735002
H 2.957125 -0.183011 -1.905714


