%chk=000274559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274559

0 1
S 3.797107 0.792957 0.797781
S -2.919677 -2.689565 -0.524595
S -2.449542 4.599066 -0.675616
S -3.220473 2.921093 0.203767
O 4.915198 0.395530 -0.041477
O 4.033827 1.609403 1.956306
O -2.301599 -3.530121 0.470330
O -4.051954 -3.197684 -1.275835
O 1.076157 2.236172 0.928369
O -1.757433 -0.661271 1.357565
N 2.923858 1.796077 -0.367625
N -3.659821 -1.314690 0.271180
N 1.451247 3.616981 -0.873646
N -3.689933 0.536717 1.803555
C 2.803839 -0.543289 1.128257
C -1.762271 -2.022223 -1.588622
C 1.645854 -0.414121 1.910861
C -2.023264 -2.011950 -2.968533
C 3.176381 -1.811897 0.652195
C -0.546966 -1.516549 -1.112192
C 1.248683 -2.806108 1.743312
C 0.150154 -1.015008 -3.380407
C 0.873674 -1.532875 2.209760
C -1.078065 -1.513936 -3.859385
C 2.411929 -2.932600 0.955344
C 0.405184 -1.014433 -2.001018
C 0.252766 4.437382 -0.577828
C -2.939745 1.600025 2.520096
C -0.923049 4.058715 -1.479318
C -2.138041 2.514987 1.596906
C 1.766795 2.532256 -0.040040
C -2.949773 -0.471748 1.154227
C 0.411902 -3.989847 2.062229
C 1.164739 -0.500300 -4.345041
H 1.334975 0.575001 2.279049
H -2.975761 -2.404530 -3.346989
H 4.080536 -1.919687 0.040423
H -0.337797 -1.502603 -0.029315
H 3.425373 2.023170 -1.236813
H -4.675588 -1.190888 0.161898
H -0.054736 -1.414326 2.776748
H -1.284278 -1.513725 -4.927966
H 2.710273 -3.911749 0.585864
H 1.346921 -0.627056 -1.611580
H -0.005784 4.301931 0.504719
H 0.521186 5.511178 -0.705982
H -3.675227 2.179030 3.124943
H -2.236014 1.108133 3.240098
H -0.864000 4.554565 -2.467639
H -0.941983 2.969452 -1.689644
H -1.793624 3.416842 2.136552
H -1.211005 2.008062 1.229099
H 1.966469 3.824769 -1.717911
H -4.598084 0.814459 1.433042
H -0.585676 -3.914259 1.566559
H 0.196751 -4.069755 3.137090
H 0.847294 -4.942231 1.739971
H 2.061563 -0.099819 -3.853096
H 0.753753 0.300276 -4.977160
H 1.506173 -1.298488 -5.023423


%chk=000274559-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274559

0 1
S 3.771049 0.766491 1.022094
S -2.859615 -2.669968 -0.258290
S -2.353841 4.999056 -0.987613
S -3.367652 3.129568 -0.193359
O 5.184986 0.434870 0.289051
O 3.727840 1.702639 2.339167
O -2.044600 -3.459574 0.891866
O -4.086077 -3.398630 -1.037852
O 0.901611 2.081300 0.789265
O -1.879536 -0.323356 1.562448
N 2.880376 1.683931 -0.399151
N -3.741484 -1.209838 0.446172
N 1.598357 3.642712 -0.802314
N -3.924855 0.801822 1.644057
C 2.820629 -0.832232 1.285674
C -1.694728 -1.917884 -1.543120
C 1.562197 -0.797019 1.909127
C -2.032987 -2.142726 -2.888641
C 3.470239 -2.008059 0.876365
C -0.558922 -1.210816 -1.124378
C 1.534133 -3.264111 1.754922
C 0.010115 -0.901642 -3.506608
C 0.922371 -2.035208 2.129980
C -1.159690 -1.625091 -3.868097
C 2.807463 -3.230646 1.126920
C 0.293097 -0.700143 -2.130514
C 0.415156 4.492519 -0.577544
C -3.360242 1.968399 2.355225
C -0.713079 4.250921 -1.604634
C -2.455246 2.846080 1.464861
C 1.745094 2.462273 -0.078051
C -3.106082 -0.248673 1.251582
C 0.819063 -4.574206 2.012339
C 0.933555 -0.355945 -4.580588
H 1.078172 0.149783 2.164359
H -2.934320 -2.705675 -3.150868
H 4.452621 -1.965386 0.395708
H -0.353005 -1.040807 -0.065374
H 3.617302 2.047983 -1.023743
H -4.752694 -1.274662 0.284870
H -0.084335 -2.036882 2.559304
H -1.389430 -1.788271 -4.927550
H 3.286607 -4.168556 0.824727
H 1.185726 -0.141364 -1.825330
H 0.044844 4.256234 0.433059
H 0.725870 5.552902 -0.585697
H -4.211413 2.555931 2.740782
H -2.760015 1.611654 3.211708
H -0.508740 4.723034 -2.581786
H -0.897275 3.174960 -1.752335
H -2.292465 3.831369 1.931549
H -1.493225 2.355758 1.252476
H 2.327867 3.954899 -1.443777
H -4.886898 0.860114 1.309559
H -0.219332 -4.522992 1.637498
H 0.763452 -4.785137 3.097373
H 1.330552 -5.424115 1.529379
H 1.817625 0.136327 -4.142149
H 0.412066 0.383257 -5.217398
H 1.291146 -1.162278 -5.247310


