%chk=000198321.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198321

0 1
S 2.245240 -0.100690 2.098509
P 2.523272 0.023250 0.218755
O -3.194600 -1.733498 -0.052251
O 2.029511 1.267195 -0.690416
O 4.079486 0.037913 -0.280155
O 2.134120 -1.426828 -0.651905
N -1.143680 -0.559270 0.182383
N 0.153652 -0.552198 0.012565
C -4.419864 1.850819 0.123050
C -4.202617 0.444385 -0.477401
C -3.905443 -0.594366 0.602930
C -5.120809 2.756409 -0.897842
C -3.087969 2.466768 0.564933
C -5.133646 -1.300091 1.151384
C -1.854886 -1.661947 -0.218636
C 1.206131 2.329715 -0.055275
C 5.032168 -0.917939 0.312636
C -1.243628 -2.801594 -0.832249
C 2.164824 3.338344 0.557026
C 0.443468 2.861072 -1.260016
C 4.986386 -2.192291 -0.516981
C 6.347060 -0.160122 0.187399
C 0.792153 -1.617815 -0.563626
C 0.124391 -2.783411 -1.012889
H -5.083541 1.757310 1.018980
H -5.082505 0.139696 -1.074548
H -3.362864 0.475112 -1.201675
H -3.251610 -0.196386 1.410284
H -5.263336 3.766043 -0.496617
H -6.107993 2.369867 -1.170870
H -4.537813 2.854372 -1.820183
H -3.239808 3.400673 1.113850
H -2.520849 1.785137 1.214145
H -2.438131 2.685153 -0.290160
H -5.619336 -1.917410 0.382422
H -4.875208 -1.972779 1.979219
H -5.873822 -0.578504 1.517158
H 0.515499 1.886156 0.700767
H 4.777037 -1.107305 1.381680
H -1.866705 -3.643303 -1.133923
H 3.043694 3.492829 -0.085389
H 1.686571 4.314463 0.695154
H 2.533800 3.019575 1.541760
H -0.138733 3.752789 -1.008911
H -0.243471 2.097495 -1.650423
H 1.129395 3.118178 -2.079396
H 4.034067 -2.729429 -0.397349
H 5.792729 -2.880297 -0.243947
H 5.081434 -1.968644 -1.588862
H 6.345944 0.737309 0.819402
H 7.201150 -0.781641 0.472895
H 6.503990 0.184431 -0.844697
H 0.678894 -3.601501 -1.469094


%chk=000198321-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198321

0 1
S 2.946458 -0.015084 2.330441
P 2.968076 0.068468 0.267753
O -3.293249 -1.732244 0.094587
O 2.503225 1.478241 -0.574007
O 4.464179 -0.151817 -0.534301
O 2.120470 -1.311911 -0.544188
N -1.294500 -0.469369 0.286558
N 0.069863 -0.392621 0.126963
C -5.053098 1.741900 -0.147840
C -4.301099 0.438379 -0.534229
C -4.045762 -0.532969 0.634485
C -5.302517 2.589912 -1.418237
C -4.284319 2.567072 0.913466
C -5.306632 -1.123913 1.265638
C -1.929710 -1.623626 -0.069657
C 1.543768 2.462513 0.075057
C 5.478590 -1.127235 0.012628
C -1.248734 -2.760444 -0.605691
C 2.375910 3.546087 0.767350
C 0.676869 2.967526 -1.079472
C 5.293451 -2.482117 -0.682363
C 6.833708 -0.468833 -0.259640
C 0.751333 -1.448756 -0.380973
C 0.132737 -2.672364 -0.767747
H -6.043761 1.468330 0.272115
H -4.877993 -0.100720 -1.312504
H -3.325059 0.718084 -0.976402
H -3.392501 -0.061607 1.390342
H -5.879007 3.503045 -1.180437
H -5.866537 2.018900 -2.179468
H -4.343610 2.904548 -1.873329
H -4.797951 3.526514 1.109626
H -4.196004 2.033334 1.877488
H -3.259384 2.792653 0.561793
H -5.934905 -1.615859 0.502034
H -5.043120 -1.868890 2.035606
H -5.900498 -0.326702 1.746412
H 0.926934 1.896502 0.796736
H 5.302711 -1.218800 1.104228
H -1.815358 -3.656737 -0.868472
H 3.041174 4.046784 0.042080
H 1.704495 4.305485 1.210226
H 2.988480 3.113079 1.576930
H -0.040323 3.721115 -0.704083
H 0.111359 2.132657 -1.524576
H 1.301511 3.435901 -1.860209
H 4.281631 -2.883636 -0.504837
H 6.035177 -3.205488 -0.295285
H 5.440362 -2.376841 -1.771471
H 6.908585 0.500718 0.260140
H 7.649043 -1.126321 0.094131
H 6.965710 -0.298218 -1.342319
H 0.733023 -3.491422 -1.169476


