%chk=000163288.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163288

0 1
 S   -3.191400      -2.682000     -9.3900003E-02
 O    3.359400       2.601000      0.6270000    
 O   0.7790000       4.295800     -0.7989000    
 O   -3.723800       3.191200     -0.2276000    
 O   -1.971400      -3.021200      0.6249000    
 O   -4.463800      -3.246500      0.3338000    
 N    2.537700      0.4004000      0.5674000    
 N   3.9600000E-02   1.480400      0.2426000    
 N   -1.171400       2.048200      8.5699998E-02
 N   -2.968400      -3.026900      -1.752400    
 C    4.098700      -1.257800     -0.4478000    
 C    3.070000      -2.400800     -0.6207000    
 C    4.243900     -0.5100000      -1.793700    
 C    3.773000     -0.3175000      0.7259000    
 C    2.844200      -3.301900      0.5990000    
 C    1.884000      -4.461000      0.3320000    
 C    5.304200      0.5822000      -1.782100    
 C    1.617700      -5.262700       1.596900    
 C    2.464900       1.776500      0.5351000    
 C    1.060600       2.272500      0.3525000    
 C   0.7447000       3.741200      0.2886000    
 C   -2.321800       1.253000     -3.9999999E-02
 C   -3.341900     -0.9427000     -0.1334000    
 C   -2.207200     -0.1408000     -9.7000003E-03
 C   -3.584100       1.835900     -0.1952000    
 C   0.4396000       4.414600       1.590400    
 C   -4.597600     -0.3551000     -0.2878000    
 C   -4.718600       1.034100     -0.3188000    
 H    5.066500      -1.726500     -0.2224000    
 H    2.104100      -1.979400     -0.9284000    
 H    3.399500      -3.036800      -1.453300    
 H    3.283500     -7.2600000E-02  -2.092400    
 H    4.511500      -1.233800      -2.573900    
 H    3.693000     -0.8828000       1.659800    
 H    4.593200      0.3924000      0.8789000    
 H    3.809000      -3.699400      0.9368000    
 H    2.439300      -2.702500       1.422100    
 H   0.9337000      -4.074400     -5.4200001E-02
 H    2.302900      -5.120400     -0.4367000    
 H    5.441800      0.9784000      -2.793500    
 H    6.267100      0.1902000      -1.439900    
 H    5.022600       1.420000      -1.140600    
 H    1.678600     -0.1392000      0.5133000    
 H    1.162100      -4.636200       2.370500    
 H   0.9332000      -6.089600       1.383700    
 H    2.545600      -5.683700       1.997100    
 H   -1.297100       3.048500      0.1036000    
 H   -1.235100     -0.6140000      0.1021000    
 H   -5.493800     -0.9601000     -0.3922000    
 H   4.7400001E-02   5.416700       1.396500    
 H    1.355100       4.497300       2.181300    
 H  -0.3133000       3.852000       2.147500    
 H   -5.699500       1.485400     -0.4410000    
 H   -3.739400      -3.486800      -2.251700    
 H   -2.035700      -3.334600      -2.054000    
 H   -2.870600       3.613600     -0.4079000    


%chk=000163288-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163288

0 1
S -3.097296 -3.006660 0.673087
O 3.288741 2.547868 0.998759
O -0.541650 4.299700 0.172770
O -3.889644 2.754102 -0.991120
O -1.823175 -3.055815 1.692070
O -4.565705 -3.609415 1.033959
N 2.277752 0.447866 0.820611
N -0.090340 1.511199 0.334444
N -1.343810 1.927869 0.077602
N -2.549777 -3.842302 -0.870887
C 4.024790 -1.099380 -0.163597
C 2.963947 -2.050191 -0.787272
C 4.581216 -0.132452 -1.243751
C 3.486455 -0.344752 1.086249
C 2.352001 -3.098019 0.171908
C 1.453508 -4.121698 -0.561819
C 5.784978 0.721846 -0.789169
C 0.783706 -5.130593 0.397948
C 2.257450 1.823152 0.797010
C 0.895845 2.423961 0.513091
C 0.664992 3.882651 0.427961
C -2.390608 0.992769 -0.066930
C -3.326003 -1.218554 0.154774
C -2.231518 -0.364075 0.298539
C -3.646291 1.439129 -0.587203
C 1.758954 4.899436 0.621437
C -4.586498 -0.806459 -0.315123
C -4.734634 0.543212 -0.685725
H 4.868368 -1.724697 0.205133
H 2.150014 -1.442952 -1.238117
H 3.441890 -2.584917 -1.633937
H 3.762553 0.534657 -1.582923
H 4.873818 -0.737602 -2.126209
H 3.260038 -1.071569 1.889067
H 4.250034 0.351250 1.470986
H 3.166181 -3.640034 0.697172
H 1.749452 -2.605160 0.963014
H 0.680134 -3.569474 -1.137863
H 2.063008 -4.665112 -1.312180
H 6.200088 1.294916 -1.638809
H 6.596530 0.085774 -0.386016
H 5.491013 1.450067 -0.012915
H 1.386355 -0.024784 0.648863
H 0.117244 -4.617723 1.117104
H 0.189688 -5.887200 -0.152054
H 1.546128 -5.680838 0.980638
H -1.440864 2.991392 0.072621
H -1.286819 -0.715621 0.720863
H -5.422161 -1.510033 -0.368364
H 1.330131 5.905664 0.493561
H 2.586579 4.728811 -0.088512
H 2.220907 4.793199 1.618339
H -5.683840 0.926872 -1.068839
H -3.265051 -4.544025 -1.124408
H -1.614571 -4.251319 -0.703467
H -3.069231 3.297862 -1.101469


