%chk=000291884.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291884

0 1
S -6.098504 -0.944282 -0.205176
O -0.197169 1.493776 2.383182
O 3.051779 3.405183 1.226352
O -6.841640 0.516352 -0.621067
O -6.340014 -1.790467 -1.347728
O -6.624426 -1.296370 1.085794
N -0.442939 0.810520 0.136607
N 0.370205 0.759891 -0.998552
N 1.974721 3.108674 0.868040
C 4.022942 0.831228 -1.134185
C 4.010258 -0.680412 -0.875224
C 2.682874 1.338540 -1.683318
C 5.343732 -1.157463 -0.285172
C 1.566826 1.218417 -0.708877
C 5.329692 -2.669457 -0.024139
C 1.677699 1.632429 0.761179
C 6.662217 -3.149414 0.568447
C 0.258852 1.355730 1.285041
C -1.806855 0.389315 0.042713
C 6.652678 -4.653405 0.831064
C -2.626711 0.459238 1.187201
C -2.320475 -0.098408 -1.178423
C -4.470555 -0.440888 -0.108630
C -3.952894 0.043634 1.099719
C -3.647780 -0.507527 -1.242906
H 4.292922 1.379052 -0.209754
H 4.822789 1.077000 -1.863356
H 3.801274 -1.222333 -1.819136
H 3.179249 -0.947224 -0.194411
H 2.428122 0.792126 -2.622419
H 2.779710 2.406189 -1.989227
H 6.173793 -0.903970 -0.973246
H 5.558499 -0.616183 0.656458
H 5.121248 -3.214751 -0.965015
H 4.500500 -2.929334 0.661744
H 2.415488 0.983628 1.299954
H 7.493511 -2.895939 -0.118424
H 6.873153 -2.607472 1.511201
H 6.484938 -5.224255 -0.089438
H 7.607202 -4.987641 1.253484
H 5.865221 -4.936086 1.539109
H -2.237934 0.836208 2.139056
H -1.684389 -0.153147 -2.064980
H -4.591548 0.092775 1.991569
H -4.049265 -0.891733 -2.189588
H -7.726692 0.454256 -1.003122


%chk=000291884-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291884

0 1
S -6.007068 -1.231289 -0.238436
O -0.168092 1.741709 2.447185
O 2.515515 4.115229 1.343214
O -6.820298 0.348135 -0.790056
O -6.083895 -2.297884 -1.453349
O -6.572127 -1.612001 1.229426
N -0.392997 1.011215 0.170536
N 0.458402 0.899203 -0.980016
N 1.664154 3.573926 0.601594
C 4.092173 0.862966 -1.108797
C 3.994763 -0.654300 -0.836684
C 2.770600 1.484847 -1.641050
C 5.317146 -1.255019 -0.308941
C 1.636950 1.410261 -0.660666
C 5.234527 -2.776117 -0.048987
C 1.659321 1.970064 0.740772
C 6.550550 -3.371653 0.502228
C 0.276469 1.575584 1.285551
C -1.712600 0.489567 0.092187
C 6.462337 -4.891846 0.756611
C -2.575557 0.537570 1.222341
C -2.151852 -0.078258 -1.135138
C -4.285921 -0.526223 -0.108865
C -3.882878 0.025358 1.117054
C -3.456845 -0.590950 -1.240601
H 4.411234 1.390099 -0.186236
H 4.884586 1.052144 -1.858608
H 3.699257 -1.174971 -1.770792
H 3.184430 -0.856372 -0.105088
H 2.457803 0.979491 -2.572636
H 2.949955 2.551240 -1.891888
H 6.129844 -1.051442 -1.037249
H 5.606118 -0.738388 0.630498
H 4.964022 -3.296952 -0.991146
H 4.412150 -2.983688 0.667337
H 2.492722 1.683880 1.399481
H 7.372835 -3.161692 -0.212047
H 6.817764 -2.852234 1.445130
H 6.224517 -5.437046 -0.176304
H 7.414919 -5.292996 1.148490
H 5.669477 -5.125558 1.492012
H -2.226225 0.966502 2.163259
H -1.469508 -0.104407 -1.986275
H -4.563421 0.040947 1.973718
H -3.815878 -1.041470 -2.170775
H -7.797075 0.158815 -0.905594


