%chk=000118875.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118875

0 1
S -0.378770 -0.480100 -1.616586
S -4.937808 1.366199 -1.054225
O 9.522070 1.224749 1.655676
O -0.348107 0.737426 0.740814
N 3.579274 -0.420779 -0.662272
N 6.257256 0.002143 0.372528
N -2.427652 0.008930 0.035232
N -5.086585 2.219323 1.436620
C 3.882682 0.712172 0.273563
C 4.488395 -1.575710 -0.362639
C 5.345416 1.156370 0.076662
C 5.953183 -1.133574 -0.558810
C 2.137011 -0.827124 -0.567476
C 7.693249 0.410686 0.276957
C 1.353996 0.067726 -1.527146
C 8.125350 0.899039 1.671961
C -1.037730 0.193095 -0.084066
C -3.180514 -0.759305 -0.933582
C -3.166670 0.788760 0.995273
C -4.336332 -0.215103 -1.517274
C -4.352268 1.454458 0.604775
C -2.781034 -2.067311 -1.256840
C -2.731165 0.935961 2.322115
C -5.052481 -0.934255 -2.475376
C -3.495591 -2.776379 -2.226131
C -4.616155 -2.210295 -2.844457
C -3.484349 1.730926 3.190096
C -4.648044 2.359750 2.716300
H 3.711815 0.446741 1.340522
H 3.203597 1.558236 0.034175
H 4.258324 -2.397381 -1.073817
H 4.354618 -1.974477 0.666964
H 5.577248 1.977264 0.787692
H 5.478151 1.558673 -0.951634
H 6.124913 -0.874700 -1.626395
H 6.625787 -1.981288 -0.306093
H 2.029152 -1.893794 -0.864003
H 1.725475 -0.741093 0.464704
H 8.330288 -0.456887 -0.004964
H 7.889493 1.189319 -0.488332
H 1.407998 1.132762 -1.223996
H 1.760914 0.008818 -2.558833
H 7.543973 1.769331 2.017335
H 8.063696 0.091325 2.426604
H 9.690548 2.002158 1.091636
H -1.935209 -2.538724 -0.753936
H -1.806823 0.457308 2.657031
H -5.948886 -0.509539 -2.931936
H -3.177797 -3.783971 -2.496195
H -5.160154 -2.770512 -3.604119
H -3.168057 1.865630 4.223416
H -5.261488 2.997125 3.364083


%chk=000118875-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118875

0 1
S -0.369192 -0.614369 -1.989734
S -4.781867 1.576699 -1.154631
O 9.205014 1.545658 2.174061
O -0.167940 0.789093 0.367208
N 3.639708 -0.555902 -0.811911
N 6.198989 0.009648 0.419609
N -2.331782 0.036029 -0.136638
N -4.657277 2.526521 1.398191
C 3.739235 0.336862 0.369219
C 4.715935 -1.574343 -0.787902
C 5.113142 1.023605 0.401235
C 6.090500 -0.883888 -0.761127
C 2.278980 -1.096554 -1.022598
C 7.546791 0.599555 0.576738
C 1.446100 -0.090038 -1.839905
C 7.845742 0.996456 2.037655
C -0.950833 0.161159 -0.388954
C -3.224196 -0.773645 -0.941011
C -2.934608 0.873396 0.873366
C -4.396526 -0.188024 -1.478938
C -4.066968 1.666887 0.541511
C -2.982689 -2.156081 -1.124613
C -2.424189 0.970326 2.186916
C -5.287141 -0.964047 -2.253220
C -3.860063 -2.925273 -1.916398
C -5.006808 -2.327267 -2.490187
C -3.033825 1.868463 3.091193
C -4.135746 2.635839 2.654674
H 3.600537 -0.238288 1.318691
H 2.941158 1.098612 0.319386
H 4.638850 -2.198940 -1.697276
H 4.636058 -2.243877 0.105075
H 5.182382 1.649926 1.308574
H 5.201231 1.694439 -0.491355
H 6.222568 -0.319909 -1.719174
H 6.885293 -1.650238 -0.698953
H 2.352104 -2.049080 -1.579536
H 1.757465 -1.315640 -0.061480
H 8.300711 -0.150176 0.273676
H 7.693977 1.493366 -0.088283
H 1.441637 0.903240 -1.365395
H 1.811749 -0.006093 -2.875592
H 7.092147 1.715222 2.422215
H 7.832753 0.102069 2.678967
H 9.277403 2.362150 1.617130
H -2.102563 -2.613001 -0.663258
H -1.553374 0.378519 2.475973
H -6.196543 -0.505185 -2.654388
H -3.655795 -3.989182 -2.073341
H -5.693626 -2.923829 -3.099482
H -2.656027 1.978529 4.111703
H -4.624382 3.360705 3.313916


