%chk=000039767.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039767

0 1
 S  -0.5150000      -2.598600     -0.2024000    
 O   0.8879000      -2.410700      0.1335000    
 O   -1.318300      -3.557300      0.5405000    
 O   -1.188100       3.676200     -0.3275000    
 O   0.6843000       2.562200     -0.5965000    
 O   -5.321300     -0.9760000      0.5361000    
 O   -5.465300       1.291600      0.4753000    
 N  -0.5522000       2.597900     -0.3928000    
 N  -0.6443000      -2.945500      -1.869500    
 C  -0.5953000      0.1471000     -0.2926000    
 C   0.8817000      0.1064000     -0.5373000    
 C    1.726300      0.1432000      0.7487000    
 C   -1.308900      -1.039900     -0.1282000    
 C   -1.257300       1.373300     -0.2298000    
 C    3.212700      0.1318000      0.4867000    
 C   -2.684600      -1.001000      9.8999999E-02
 C   -2.633100       1.412300     -2.7000001E-03
 C   -3.346700      0.2252000      0.1616000    
 C    3.879300      -1.080800      0.4056000    
 C    3.884900       1.334000      0.3321000    
 C   -4.780800      0.2659000      0.3999000    
 C    5.253000      -1.091400      0.1638000    
 C    5.258600       1.323500      9.0300001E-02
 C    5.942600      0.1107000      6.2000002E-03
 H    1.140800     -0.7690000      -1.141400    
 H    1.236100      0.7979000      -1.306500    
 H    1.470300     -0.6498000       1.459700    
 H    1.491000       1.056100       1.313700    
 H   -3.226600      -1.934900      0.2154000    
 H   -3.167400       2.358100      5.0099999E-02
 H    3.363800      -2.025700      0.5365000    
 H    3.363900       2.284500      0.3969000    
 H   0.2140000      -2.906800      -2.432800    
 H   -1.294500      -3.688400      -2.153300    
 H    5.786300      -2.035500      0.1009000    
 H    5.795800       2.259500     -3.2000002E-02
 H    7.012300      0.1025000     -0.1814000    
 H   -6.288500     -0.9375000      0.6957000    


%chk=000039767-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039767

0 1
S -0.544731 -2.695999 -0.238542
O 0.850220 -2.793975 0.587667
O -1.753027 -3.751212 0.035095
O -1.522923 3.681957 -0.940309
O 0.452240 2.980635 -0.050223
O -5.436558 -1.034124 0.649346
O -5.589605 1.288159 0.599084
N -0.767313 2.777927 -0.416831
N -0.045113 -2.745709 -2.003355
C -0.577789 0.234878 -0.286995
C 0.916061 0.211426 -0.530538
C 1.744288 0.254008 0.805489
C -1.343238 -0.950635 -0.118029
C -1.368598 1.426239 -0.212025
C 3.230579 0.143067 0.507017
C -2.716211 -1.007526 0.144028
C -2.756550 1.426261 0.026793
C -3.435994 0.208411 0.226170
C 3.861754 -1.127909 0.466319
C 4.003102 1.301037 0.231538
C -4.900847 0.247307 0.504019
C 5.237887 -1.236741 0.164294
C 5.379094 1.193618 -0.072163
C 6.000731 -0.076552 -0.106996
H 1.185451 -0.704069 -1.082436
H 1.222128 1.073457 -1.145203
H 1.422865 -0.587241 1.442445
H 1.520504 1.202414 1.322220
H -3.218948 -1.970827 0.279406
H -3.310239 2.369324 0.055654
H 3.266691 -2.024154 0.680844
H 3.523202 2.287373 0.264049
H 0.837264 -3.281285 -2.067501
H -0.809660 -3.150492 -2.569014
H 5.716843 -2.222622 0.146145
H 5.966038 2.096524 -0.276042
H 7.068806 -0.160710 -0.337920
H -6.411004 -0.971142 0.838002


