%chk=000217543.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217543

0 1
S -8.869395 -0.058246 0.123061
O 1.181808 0.200943 0.791871
N -4.832895 -0.108134 -0.446948
C -2.366591 -0.072669 -0.332205
C -1.145610 0.090295 0.575981
C -3.666786 -0.033451 0.487653
C 0.148200 0.069864 -0.235437
C 2.479669 0.244157 0.271091
C 3.211199 -0.955438 0.191536
C 3.034240 1.495456 -0.061583
C 4.548120 -0.893278 -0.254551
C -6.135195 -0.119636 0.293564
C 4.364224 1.524591 -0.500038
C 5.106411 0.346429 -0.599186
C 2.577985 -2.247652 0.587637
C 2.238134 2.750969 0.059315
C 5.374799 -2.134647 -0.361078
C -7.266047 -0.096363 -0.731647
H -2.390851 0.732907 -1.095551
H -2.298079 -1.021418 -0.898516
H -1.110482 -0.709829 1.343056
H -1.203231 1.037504 1.150338
H -3.734074 0.929887 1.041698
H -3.664779 -0.841364 1.251041
H 0.307809 -0.879535 -0.772376
H 0.232133 0.917868 -0.934742
H -4.758378 -0.952961 -1.024789
H -6.172827 0.790741 0.934400
H -6.242393 -0.991884 0.976880
H 4.823688 2.475298 -0.764338
H 6.137493 0.394729 -0.945487
H 2.440631 -2.909447 -0.277048
H 1.590996 -2.086488 1.051036
H 3.190629 -2.784668 1.324978
H 1.327449 2.592694 0.659691
H 2.811237 3.548292 0.551339
H 1.928773 3.125135 -0.925485
H 5.524667 -2.594643 0.626565
H 4.889603 -2.884954 -1.001003
H 6.369846 -1.944739 -0.782874
H -7.265105 -1.003811 -1.367505
H -7.160222 0.762932 -1.422861
H -8.856499 1.213365 0.573418


%chk=000217543-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217543

0 1
S -9.061142 0.024295 -0.127683
O 1.237405 0.162338 0.894194
N -4.885923 -0.150807 -0.412246
C -2.404159 -0.057251 -0.255054
C -1.178855 0.028347 0.682891
C -3.737107 -0.075184 0.518321
C 0.139331 0.042183 -0.094253
C 2.541852 0.227920 0.315971
C 3.309035 -0.965340 0.228071
C 3.044673 1.494602 -0.090917
C 4.630065 -0.892228 -0.307269
C -6.219629 -0.121061 0.226316
C 4.358689 1.536188 -0.612624
C 5.134010 0.362102 -0.726557
C 2.735849 -2.285699 0.709106
C 2.209267 2.754250 0.046842
C 5.488081 -2.140131 -0.420776
C -7.306477 0.055610 -0.847384
H -2.416990 0.801183 -0.954262
H -2.330520 -0.974354 -0.878340
H -1.171194 -0.827558 1.385392
H -1.234887 0.946884 1.298715
H -3.834139 0.861460 1.102746
H -3.721346 -0.914422 1.259488
H 0.272318 -0.893571 -0.678389
H 0.175208 0.898295 -0.799950
H -4.793440 -0.953306 -1.052101
H -6.244050 0.744075 0.918105
H -6.450811 -1.026625 0.837931
H 4.778194 2.499676 -0.926736
H 6.150085 0.420641 -1.134663
H 2.617245 -3.005438 -0.124576
H 1.755178 -2.131197 1.185217
H 3.405035 -2.764633 1.448795
H 1.528017 2.679392 0.911495
H 2.853736 3.641008 0.176909
H 1.585563 2.932491 -0.851610
H 5.688871 -2.589168 0.571503
H 4.994713 -2.923245 -1.028142
H 6.460512 -1.911449 -0.889184
H -7.300962 -0.784056 -1.564731
H -7.155754 0.992137 -1.406388
H -8.945245 1.200446 0.596729


