%chk=000297081.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297081

0 1
S -3.462108 1.440168 -0.791541
O 3.479744 2.868668 -0.524385
O -2.522427 1.675003 -1.884232
O -4.857189 1.812365 -0.979831
N 3.175120 -0.653886 0.059210
N 0.120169 2.287806 0.827439
N 4.511933 0.901253 -1.101734
C 2.452869 0.669801 0.100478
C 2.156287 1.058000 1.559466
C 1.175501 0.707553 -0.758431
C 1.385036 2.383507 1.637255
C 0.461041 2.060725 -0.616570
C 3.496788 1.657755 -0.508161
C 4.351290 -0.554748 -0.876154
C -0.681521 3.544688 1.022226
C 2.488829 -1.899000 0.137480
C -2.032365 3.493449 0.285453
C -2.871171 2.266183 0.650904
C 2.917661 -3.019416 -0.607844
C 1.442394 -2.059039 1.074630
C 2.326316 -4.266025 -0.394510
C 0.874335 -3.313095 1.280255
C 1.307268 -4.424104 0.547365
C -3.410189 -0.248640 -0.383060
C -4.604530 -0.931373 -0.135690
C -2.192892 -0.934036 -0.363559
C -4.582923 -2.301104 0.144797
C -2.169583 -2.306360 -0.097368
C -3.364225 -2.987990 0.158853
H 3.093989 1.125834 2.143063
H 1.556027 0.249986 2.039213
H 0.480188 -0.104409 -0.447968
H 1.406697 0.517171 -1.823525
H 2.044941 3.218916 1.300870
H 1.111117 2.584241 2.694514
H -0.484085 2.040963 -1.216738
H 1.092090 2.873515 -1.042978
H 4.182736 -1.076478 -1.850274
H 5.241759 -0.995888 -0.366865
H -0.864661 3.649099 2.115206
H -0.132229 4.457727 0.699879
H 5.366024 1.283182 -1.481300
H -2.598664 4.417026 0.523322
H -1.841997 3.543154 -0.813248
H -2.255918 1.586227 1.284971
H -3.707341 2.565225 1.312818
H 3.704471 -2.934256 -1.351601
H 1.096502 -1.203081 1.662768
H 2.667670 -5.124946 -0.973158
H 0.086743 -3.429322 2.025782
H 0.859828 -5.399674 0.714191
H -5.560714 -0.394877 -0.173248
H -1.248618 -0.405757 -0.561099
H -5.512968 -2.831907 0.340239
H -1.221467 -2.844977 -0.102195
H -3.345677 -4.058503 0.365019


%chk=000297081-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297081

0 1
S -3.627020 1.390431 -0.676302
O 3.807997 2.939172 -0.585217
O -2.643473 1.588893 -1.980171
O -5.148696 1.998603 -0.656169
N 3.184324 -0.591637 -0.226762
N 0.283699 2.423616 0.769698
N 4.815190 0.846585 -0.948622
C 2.616071 0.781784 -0.060382
C 2.307932 1.123859 1.434166
C 1.372707 1.024081 -0.976086
C 1.521146 2.440318 1.597722
C 0.642722 2.347022 -0.676596
C 3.785735 1.678399 -0.550571
C 4.546425 -0.580212 -0.795074
C -0.594929 3.578206 1.085531
C 2.570964 -1.819519 0.066933
C -2.006658 3.444600 0.457991
C -2.660802 2.118267 0.853597
C 3.281373 -3.039683 -0.174229
C 1.250690 -1.926282 0.610006
C 2.703961 -4.290947 0.121062
C 0.690925 -3.185588 0.902715
C 1.404119 -4.383309 0.666193
C -3.759014 -0.474522 -0.347305
C -4.958022 -0.953241 0.203950
C -2.686310 -1.297034 -0.727949
C -5.073061 -2.348504 0.409669
C -2.818558 -2.689155 -0.512778
C -4.005796 -3.208669 0.056829
H 3.260012 1.188642 1.994336
H 1.724396 0.302017 1.880649
H 0.661532 0.191341 -0.843480
H 1.692224 1.010010 -2.035078
H 2.172258 3.303958 1.327939
H 1.230693 2.550448 2.659993
H -0.279224 2.368891 -1.283068
H 1.280249 3.212968 -0.969925
H 4.589183 -1.111616 -1.771890
H 5.280082 -1.061316 -0.110833
H -0.682567 3.635450 2.188148
H -0.153096 4.546830 0.742829
H 5.692847 1.213424 -1.315548
H -2.629220 4.301677 0.768311
H -1.918296 3.493431 -0.644610
H -1.894790 1.354462 1.073528
H -3.439424 2.175885 1.629342
H 4.292417 -3.022185 -0.592516
H 0.653224 -1.035097 0.813586
H 3.282334 -5.200978 -0.076904
H -0.318075 -3.222722 1.330285
H 0.962131 -5.356572 0.901865
H -5.774865 -0.259597 0.430908
H -1.797953 -0.870055 -1.205685
H -5.994746 -2.760291 0.834009
H -2.002364 -3.359774 -0.800953
H -4.104702 -4.288463 0.213311


