%chk=000239916.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239916

0 1
S -0.557534 -0.901222 -0.077809
O -0.287290 -0.480058 1.287556
O -1.088704 -2.209877 -0.368660
O 2.904384 1.790414 -0.931930
N 0.961299 -0.787425 -0.884457
N 1.387496 1.796321 0.757323
N 1.247908 3.209030 0.775623
C 3.447951 -1.009852 -0.655328
C 2.155329 -0.403689 -0.089353
C 4.567953 -1.168014 0.397969
C 4.939323 0.172431 1.038790
C 4.191359 -2.202440 1.464532
C 2.217902 1.142302 -0.158524
C -1.492915 0.326625 -0.914041
C -2.862226 0.444285 -0.318613
C -3.225044 1.599531 0.389272
C -3.789137 -0.598174 -0.481774
C -4.511818 1.711540 0.924417
C -5.071982 -0.477514 0.056209
C -5.437167 0.677239 0.757058
H 3.820552 -0.372047 -1.488861
H 3.239852 -2.000910 -1.103824
H 2.040744 -0.724524 0.988511
H 5.469503 -1.548493 -0.150379
H 1.174931 -1.430662 -1.654351
H 5.047807 0.961072 0.280804
H 5.888244 0.103376 1.580997
H 4.184530 0.513993 1.754683
H 4.997577 -2.326298 2.196557
H 3.293876 -1.909053 2.022899
H 3.995097 -3.185469 1.023986
H -0.969740 1.313095 -0.896438
H -1.578643 0.114502 -2.004423
H 0.746498 1.314294 1.415444
H -2.507138 2.406616 0.532740
H -3.504879 -1.510360 -1.011139
H -4.790602 2.608554 1.476309
H -5.788584 -1.288810 -0.068318
H -6.438087 0.767379 1.175055
H 1.312817 3.575259 -0.186882
H 2.051758 3.620631 1.273469


%chk=000239916-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239916

0 1
S -0.577021 -1.358108 -0.220672
O -0.464763 -0.944261 1.372246
O -1.127327 -2.836177 -0.620619
O 2.487943 1.797291 -0.924992
N 1.142345 -1.160093 -1.020153
N 1.021685 1.420760 0.834285
N 0.539140 2.770974 0.789534
C 3.572157 -0.899287 -0.642462
C 2.162363 -0.540103 -0.104686
C 4.698205 -0.894668 0.434505
C 4.834427 0.466169 1.158331
C 4.544440 -2.056028 1.446814
C 1.936717 0.992497 -0.107011
C -1.605018 0.062839 -1.243916
C -2.824266 0.466133 -0.507820
C -2.785998 1.584404 0.372164
C -4.036750 -0.260231 -0.671947
C -3.952822 1.972318 1.063493
C -5.197055 0.130702 0.025577
C -5.157304 1.249125 0.893118
H 3.811580 -0.182799 -1.449068
H 3.539990 -1.912337 -1.094767
H 2.038125 -0.920104 0.930898
H 5.640137 -1.067383 -0.127543
H 1.395781 -2.142423 -1.255840
H 4.933267 1.297111 0.437818
H 5.722166 0.464635 1.817539
H 3.952223 0.674754 1.793823
H 5.399569 -2.076476 2.147173
H 3.626287 -1.951757 2.056049
H 4.501782 -3.035661 0.934531
H -0.824296 0.830433 -1.338115
H -1.755499 -0.496180 -2.179533
H 0.423541 0.730150 1.327230
H -1.847835 2.141594 0.509427
H -4.061719 -1.129991 -1.338946
H -3.924463 2.835887 1.736764
H -6.128372 -0.431139 -0.102720
H -6.060460 1.553282 1.434029
H 0.934044 3.202667 -0.065004
H 0.856254 3.285081 1.625565


