%chk=000257583.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257583

0 1
S -2.898534 0.306032 0.182602
S -0.315098 -0.785089 0.997829
O -0.763036 -2.034836 0.358072
O -0.291980 -0.768093 2.450746
N -1.299828 0.413160 0.399890
C -3.227437 1.828170 -0.774149
C -3.206341 -0.965857 -1.077075
C 1.252555 -0.366023 0.396965
C 1.939872 0.730299 0.924124
C 1.833019 -1.132544 -0.618112
C -3.532414 2.932468 0.215849
C -4.692807 -1.231667 -1.146037
C 3.792470 0.296825 -0.581804
C 3.206135 1.064244 0.438456
C 3.098448 -0.806780 -1.107791
C 5.153612 0.639918 -1.091595
H -2.345891 2.093445 -1.394718
H -4.069185 1.656920 -1.467582
H -2.783600 -0.705084 -2.061746
H -2.641431 -1.887855 -0.771444
H 1.490964 1.328732 1.722989
H 1.294139 -1.996494 -1.025399
H -4.407854 2.713237 0.840315
H -2.682290 3.115937 0.893303
H -3.732905 3.881201 -0.301315
H -5.108164 -1.528069 -0.171945
H -5.265761 -0.369335 -1.507233
H -4.903446 -2.064121 -1.835396
H 3.737592 1.916621 0.854610
H 3.547226 -1.409767 -1.893317
H 5.294918 0.348540 -2.141095
H 5.367939 1.715136 -1.024718
H 5.927311 0.119831 -0.505379


%chk=000257583-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257583

0 1
S -3.048213 0.242354 0.174844
S -0.352250 -0.441138 1.153417
O -0.822524 -1.990060 0.824683
O -0.306473 0.027951 2.719333
N -1.271492 0.705971 0.012291
C -3.659495 1.833324 -0.684413
C -3.270111 -1.051229 -1.247544
C 1.365059 -0.150970 0.434902
C 2.222818 0.730082 1.110846
C 1.742374 -0.854669 -0.719358
C -3.598093 3.005680 0.296303
C -4.718404 -1.530332 -1.368388
C 3.950671 0.236030 -0.579238
C 3.521818 0.919326 0.589111
C 3.046572 -0.651562 -1.221696
C 5.361042 0.422642 -1.110029
H -2.972635 1.960914 -1.537631
H -4.681155 1.608419 -1.034753
H -2.880381 -0.550264 -2.149596
H -2.565445 -1.835084 -0.921446
H 1.882671 1.230832 2.023172
H 1.044321 -1.551556 -1.193666
H -4.271996 2.858857 1.158051
H -2.568670 3.139766 0.667897
H -3.904702 3.931351 -0.224483
H -5.079016 -1.970965 -0.422540
H -5.410857 -0.722654 -1.667840
H -4.775749 -2.317794 -2.142665
H 4.210791 1.604915 1.096312
H 3.366691 -1.188614 -2.122398
H 5.408196 0.268292 -2.202176
H 5.747197 1.432928 -0.888472
H 6.055636 -0.303639 -0.644928


