%chk=000195636.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195636

0 1
S -0.525941 0.388008 1.704627
O 3.907155 -0.382761 -2.072764
O -0.546547 1.810944 2.162973
N 2.846906 -0.858313 -0.116519
C 1.768372 -0.678068 0.790382
C 0.847765 1.131302 -0.644017
C 1.967848 -1.590083 1.972769
C 3.893902 -1.778947 0.416608
C 0.784627 0.199804 0.533703
C 3.305614 -2.325912 1.733935
C 1.679153 0.524630 -1.801590
C 2.916135 -0.232202 -1.386452
C 1.423343 2.481887 -0.204032
C -1.922105 0.200108 0.605450
C -2.103480 -0.997366 -0.082875
C -2.862533 1.226896 0.519643
C -3.248422 -1.176525 -0.864984
C -4.006459 1.051594 -0.261177
C -4.206697 -0.153416 -0.957350
C -5.435014 -0.334310 -1.787839
H -0.187213 1.300287 -1.043982
H 1.997119 -1.005858 2.915174
H 1.129997 -2.304356 2.078022
H 4.840284 -1.219525 0.575909
H 4.105547 -2.578280 -0.323894
H 4.001412 -2.159255 2.574665
H 3.147200 -3.416499 1.671480
H 1.977042 1.326112 -2.511843
H 1.043098 -0.168611 -2.393601
H 2.464181 2.397140 0.124023
H 1.378762 3.226231 -1.003043
H 0.853596 2.883217 0.654754
H -1.362133 -1.793977 -0.025132
H -2.696943 2.165675 1.061769
H -3.394782 -2.110125 -1.402853
H -4.743011 1.849351 -0.330470
H -5.516810 0.447941 -2.556651
H -5.461638 -1.300195 -2.308392
H -6.343727 -0.276141 -1.170527


%chk=000195636-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195636

0 1
S -0.545615 0.559843 1.842783
O 3.910561 -0.339068 -2.124202
O -0.709627 2.217941 2.080841
N 2.864119 -0.763814 -0.092127
C 1.784915 -0.600195 0.820825
C 0.947978 1.320589 -0.564269
C 2.008563 -1.562510 1.982414
C 3.886445 -1.714570 0.415933
C 0.829897 0.343677 0.590104
C 3.081508 -2.553600 1.440023
C 1.652701 0.602439 -1.749334
C 2.917547 -0.170059 -1.359270
C 1.704906 2.602760 -0.117181
C -2.008003 0.175245 0.666581
C -2.211747 -1.114552 0.148924
C -2.883491 1.239754 0.402457
C -3.339949 -1.337437 -0.675863
C -4.002967 0.999421 -0.424206
C -4.249467 -0.288129 -0.972031
C -5.466698 -0.533093 -1.847145
H -0.066017 1.620446 -0.892528
H 2.396997 -1.003507 2.855448
H 1.082161 -2.065184 2.304091
H 4.714597 -1.158708 0.895566
H 4.303900 -2.292892 -0.423409
H 3.720421 -2.961195 2.240096
H 2.591192 -3.399028 0.925413
H 1.935068 1.325248 -2.533094
H 0.960038 -0.132480 -2.209352
H 2.736641 2.365188 0.202803
H 1.761919 3.324758 -0.953365
H 1.168859 3.069049 0.726269
H -1.511352 -1.930141 0.364222
H -2.662460 2.219613 0.845592
H -3.514492 -2.336680 -1.092148
H -4.697244 1.819680 -0.644388
H -5.491933 0.163757 -2.705383
H -5.480815 -1.561463 -2.246557
H -6.403453 -0.380702 -1.278632


