%chk=000210356.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210356

0 1
S 5.086462 0.638444 1.124031
S 5.778689 0.736916 -0.810219
O -4.636878 1.987792 0.802042
O 4.500415 1.611859 -1.456904
O 6.907045 1.603485 -0.876964
O 5.731699 -0.553781 -1.405247
N 1.346841 -0.817716 0.462832
C -1.084183 -1.233288 0.095661
C 0.013057 -0.160355 0.300204
C -1.318211 -2.047019 1.385814
C -2.363312 -0.561668 -0.365252
C -2.233567 -3.244410 1.150812
C 2.457666 0.185371 0.486706
C -2.969540 0.429259 0.407689
C -2.943069 -0.944333 -1.591083
C -4.155525 1.027798 -0.061763
C 3.703466 -0.540001 0.991132
C -4.117910 -0.337375 -2.032711
C -4.744333 0.660489 -1.277264
C -5.859463 2.673367 0.440310
H -0.739810 -1.944138 -0.699233
H -0.015001 0.562844 -0.544773
H -0.192897 0.423402 1.225094
H -0.337159 -2.389554 1.776662
H -1.742924 -1.395595 2.173877
H 1.501954 -1.481819 -0.305463
H -3.211326 -2.932352 0.761764
H -2.411817 -3.792730 2.082669
H -1.804866 -3.950485 0.431466
H 2.183904 1.012316 1.181850
H 2.642932 0.660793 -0.506310
H -2.558524 0.744086 1.363289
H -2.476215 -1.718811 -2.193259
H 3.535430 -0.956229 2.009471
H 3.977768 -1.403535 0.349722
H -4.559585 -0.641719 -2.982152
H -5.655779 1.122989 -1.634604
H -6.687674 1.962420 0.371041
H -5.721187 3.231482 -0.489946
H -5.995548 3.353776 1.291041
H 4.720877 2.366225 -2.028531


%chk=000210356-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210356

0 1
S 4.966471 0.753434 1.448682
S 6.332211 0.323274 -0.590609
O -5.002314 1.827454 0.969008
O 6.087884 1.987171 -1.391201
O 7.925231 0.125797 -0.384675
O 5.516546 -0.780797 -1.463191
N 1.261339 -0.491618 0.114476
C -1.164285 -1.103060 -0.039217
C -0.106713 0.038957 -0.021209
C -1.182321 -1.874395 1.310880
C -2.535138 -0.543091 -0.426163
C -2.033858 -3.159955 1.268776
C 2.350812 0.445171 0.407404
C -3.195328 0.383468 0.411998
C -3.161535 -0.931842 -1.640477
C -4.456024 0.916148 0.049583
C 3.564879 -0.358818 0.915723
C -4.418804 -0.400796 -1.997430
C -5.080750 0.527595 -1.161751
C -6.307348 2.411349 0.651404
H -0.862371 -1.821577 -0.832458
H -0.226224 0.658917 -0.941214
H -0.298388 0.709121 0.839704
H -0.136296 -2.117095 1.579176
H -1.564118 -1.202144 2.105551
H 1.501921 -1.200804 -0.590016
H -3.087512 -2.935983 1.022113
H -2.015844 -3.678729 2.244592
H -1.651673 -3.865197 0.506015
H 2.002845 1.142722 1.192771
H 2.667853 1.065928 -0.462050
H -2.757412 0.709526 1.361837
H -2.664151 -1.652231 -2.300210
H 3.303073 -1.006481 1.772353
H 3.963515 -1.003956 0.103315
H -4.894604 -0.710092 -2.934971
H -6.055068 0.928768 -1.455356
H -7.090007 1.631546 0.573811
H -6.270474 2.994466 -0.289512
H -6.534377 3.081456 1.493485
H 6.860256 2.124593 -2.017446


