%chk=000119350.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000119350

0 1
S -2.929827 1.017320 -2.133961
O -3.289134 -0.772624 -0.446987
O 0.394758 1.424196 1.664032
O 3.885398 -1.734630 -1.460123
O -3.945065 0.003414 1.586163
O 4.818968 0.294568 -1.636844
N -0.829151 0.321594 0.091891
N 5.325197 -0.117501 1.227610
C 2.849262 0.363345 0.862678
C 1.549335 -0.242930 0.330038
C 4.063100 -0.542828 0.578829
C -2.060358 1.065167 0.413419
C 0.364953 0.593998 0.772147
C -2.452178 2.038177 -0.696996
C -3.204654 0.058769 0.637816
C 4.336845 -0.548664 -0.924397
C -4.328971 -1.809474 -0.444740
C -3.933467 -2.935805 0.484906
H 2.753565 0.535762 1.958004
H 3.002716 1.374902 0.430638
H 1.420145 -1.281178 0.709252
H 1.592650 -0.338392 -0.775217
H 3.844602 -1.597546 0.913595
H -1.904238 1.635350 1.383803
H -0.882805 -0.306788 -0.711483
H -3.300129 2.679253 -0.386398
H -1.611414 2.713889 -0.942160
H 5.237963 -0.135084 2.239667
H 5.591026 0.825889 0.949864
H -4.329736 -2.097617 -1.512019
H -5.286626 -1.337180 -0.163447
H -2.711479 1.925023 -3.109827
H -2.924327 -3.307486 0.268483
H -3.941098 -2.606505 1.535802
H -4.625579 -3.782949 0.404159
H 4.066253 -1.813233 -2.434698


%chk=000119350-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000119350

0 1
S -2.327897 2.236128 -1.827121
O -2.980373 -1.210749 -0.372010
O 0.361904 1.522010 1.740258
O 3.683110 -2.241664 -0.716484
O -4.533824 0.260689 0.563203
O 4.855522 -0.622889 -1.895225
N -0.875060 0.179331 0.310891
N 5.348975 0.706259 0.515187
C 2.806776 0.627114 0.421304
C 1.545434 -0.260496 0.512896
C 4.165364 -0.157233 0.433729
C -2.146020 0.815580 0.675489
C 0.313618 0.561425 0.908148
C -2.314396 2.232166 0.063844
C -3.352432 -0.051402 0.304559
C 4.298578 -0.989765 -0.837259
C -4.091567 -2.112751 -0.823459
C -4.472477 -3.095605 0.285119
H 2.807236 1.299364 1.300072
H 2.769899 1.271089 -0.478793
H 1.702105 -1.028159 1.298268
H 1.367000 -0.811590 -0.428340
H 4.143505 -0.856104 1.291641
H -2.164503 0.957535 1.776306
H -0.922367 -0.633114 -0.307979
H -3.290509 2.648289 0.358117
H -1.503885 2.881793 0.425246
H 5.311971 1.413109 1.252567
H 5.670276 1.059943 -0.390859
H -3.669425 -2.617927 -1.706465
H -4.945884 -1.479195 -1.117755
H -1.007069 1.843013 -1.972444
H -3.597970 -3.682834 0.614255
H -4.895503 -2.563587 1.153339
H -5.237601 -3.798942 -0.092416
H 3.783988 -2.738628 -1.574329


