%chk=000191823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191823

0 1
S -4.097891 0.827497 -0.070047
O -2.319378 -3.109403 0.306022
O -7.262007 -2.704970 0.191138
O -6.913449 -0.965345 1.562325
O 0.401468 -0.093482 2.116115
O 2.525524 0.437331 -2.204209
O 1.221505 6.523875 1.426151
O 3.510168 -2.725990 -1.190465
O 8.018965 -2.003121 -0.591500
N -4.104722 -1.621819 0.949207
N -1.236240 -0.046677 0.520663
N 2.277666 0.423750 0.074875
N 5.350187 0.333599 -0.672320
N 5.752260 -2.426807 -0.909239
N 6.572218 -0.199389 -0.560160
C -3.663781 -0.245291 1.337839
C -5.032469 -0.467952 -1.039723
C -5.163587 -1.681545 -0.066734
C -2.188090 -0.748176 1.359650
C -2.735493 -2.089584 0.744020
C -4.182973 -0.834288 -2.241134
C -6.356141 0.150829 -1.429058
C -6.492653 -1.677806 0.689790
C 0.039808 0.253195 1.005843
C 0.937428 1.052695 0.032500
C 1.001372 2.502806 0.453137
C 0.956286 3.498551 -0.541229
C 1.142190 2.864196 1.800757
C 2.971612 0.185594 -1.104437
C 1.029558 4.843524 -0.198054
C 1.217828 4.207246 2.171230
C 1.157866 5.179966 1.162313
C 4.326198 -0.455175 -0.890078
C 4.401328 -1.936293 -1.024273
C 6.881678 -1.609045 -0.685774
H -4.086860 0.129606 2.288132
H -5.082909 -2.655073 -0.636208
H -1.777460 -0.897858 2.394318
H -3.233176 -1.314614 -1.969351
H -3.930086 0.044112 -2.853077
H -4.709881 -1.531217 -2.910569
H -6.899361 0.580335 -0.570737
H -7.023685 -0.582822 -1.904695
H -6.232283 0.972574 -2.149931
H -1.563842 0.283610 -0.389318
H 0.550515 0.977209 -1.028259
H -8.139253 -2.794769 0.652602
H 2.678843 0.261851 0.998853
H 0.871117 3.216005 -1.593476
H 1.188335 2.088751 2.573416
H 0.994767 5.631936 -0.947673
H 1.320763 4.485318 3.215286
H 1.309306 6.713577 2.393659
H 5.912347 -3.442374 -1.003737
H 7.345264 0.467645 -0.398173


%chk=000191823-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191823

0 1
S -3.981311 1.009256 0.107709
O -2.809313 -3.207182 -0.282369
O -7.778954 -1.777397 0.776467
O -6.480566 -0.699423 2.378035
O 0.687297 -1.049878 1.645567
O 3.225550 0.714795 -2.158667
O 0.525053 6.077823 0.646021
O 5.716719 -0.644056 -2.970327
O 8.547801 -1.527878 0.662340
N -4.185895 -1.566307 0.884590
N -1.120534 -0.416913 0.315025
N 2.495749 -0.065811 -0.089946
N 5.062532 -0.541811 0.621769
N 7.125724 -1.019995 -1.153621
N 6.305921 -0.942039 1.030088
C -3.487007 -0.349775 1.359906
C -5.340445 -0.124155 -0.741226
C -5.474023 -1.394205 0.218644
C -2.114416 -1.085796 1.116565
C -2.995633 -2.203364 0.421473
C -4.818082 -0.577786 -2.121172
C -6.631345 0.705768 -0.870138
C -6.583612 -1.237361 1.257469
C 0.220309 -0.428009 0.642033
C 1.122777 0.412523 -0.287140
C 0.948800 1.914870 -0.006877
C 0.838663 2.828276 -1.085064
C 0.926626 2.412490 1.319449
C 3.456282 0.135383 -1.053500
C 0.697587 4.209783 -0.851066
C 0.787236 3.793099 1.568181
C 0.669693 4.690855 0.477889
C 4.830868 -0.376444 -0.679508
C 5.861696 -0.661318 -1.727160
C 7.430683 -1.190949 0.204490
H -3.736803 -0.009543 2.371808
H -5.689208 -2.280830 -0.401207
H -1.628700 -1.447238 2.039075
H -3.935668 -1.234307 -2.033167
H -4.535472 0.295507 -2.733347
H -5.608543 -1.134577 -2.660975
H -6.957478 1.109649 0.103059
H -7.443066 0.082973 -1.289741
H -6.468317 1.557763 -1.552661
H -1.453735 0.148945 -0.473318
H 0.853395 0.230850 -1.345841
H -8.502674 -1.652798 1.449699
H 2.707690 -0.538972 0.796414
H 0.899416 2.456255 -2.113570
H 1.020051 1.719808 2.164496
H 0.620167 4.924400 -1.675291
H 0.769339 4.168014 2.599935
H 0.532257 6.322243 1.604742
H 7.883177 -1.212784 -1.818757
H 6.428439 -1.046130 2.038919


