%chk=000113707.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113707

0 1
 S    4.174900       1.757700      -1.093900    
 O   0.5265000      -2.037600       1.569000    
 O   -2.720700       3.272400       1.364500    
 O    4.269100       1.261700      -2.645900    
 O    3.477000       3.031400      -1.090200    
 O    5.487300       1.620200     -0.4890000    
 O  -0.2803000       2.836000      0.4101000    
 O   -6.412300      -2.420500     -0.6593000    
 O   -5.940000      -1.396100      -2.542500    
 N  -0.2658000      0.5830000       1.088900    
 N    3.003900      -2.923100      0.8226000    
 N   -5.796400      -1.537600      -1.304000    
 C    3.532900     -0.7452000     -6.3100003E-02
 C    3.135400      0.5804000     -0.3068000    
 C    1.001300      0.1361000      0.7055000    
 C    2.654800      -1.646600      0.5742000    
 C    1.871400       1.018500      7.7600002E-02
 C    1.396800      -1.181800      0.9478000    
 C   -2.240100       1.941200       1.480300    
 C   -3.182100       1.018500      0.7423000    
 C  -0.8215000       1.859600      0.9210000    
 C    4.799400      -1.212600     -0.4395000    
 C    5.162000      -2.527400     -0.1848000    
 C   -3.864600      4.1299999E-02   1.447600    
 C   -3.345000       1.168900     -0.6250000    
 C    4.235400      -3.334600      0.4433000    
 C   -4.734500     -0.8099000      0.7663000    
 C   -4.215000      0.3177000      -1.306400    
 C   -4.909900     -0.6718000     -0.6107000    
 H    1.604300       2.039900     -0.1329000    
 H   -2.202500       1.693000       2.548000    
 H  -0.8488000     -8.6099997E-02   1.581000    
 H    5.529000     -0.6191000     -0.9753000    
 H    6.132600      -2.909500     -0.4785000    
 H   -3.735400     -7.5900003E-02   2.519600    
 H   -2.812600       1.937400      -1.178100    
 H    4.462000      -4.372200      0.6656000    
 H   -5.258900      -1.569300       1.340800    
 H   -4.327200      0.4552000      -2.378800    
 H  -0.3861000      -1.771200       1.376000    
 H   -2.166700       3.833400       1.934100    
 H    3.413900       1.240800      -3.136500    


%chk=000113707-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113707

0 1
S 4.530030 1.924325 -0.647644
O 0.207112 -1.930244 1.049446
O -2.829672 3.496442 0.899488
O 4.529930 1.428108 -2.442306
O 3.935158 3.417121 -0.491615
O 5.995949 1.573797 -0.051137
O -0.272363 3.029548 0.424722
O -6.073310 -2.981864 -0.289623
O -6.426739 -1.666544 -2.119943
N -0.397099 0.722577 0.832857
N 2.624559 -2.948745 0.542460
N -5.891920 -1.897664 -0.968044
C 3.580276 -0.714378 -0.024260
C 3.242622 0.670363 -0.125147
C 0.925672 0.316184 0.536817
C 2.504830 -1.579942 0.385978
C 1.975804 1.192937 0.126433
C 1.203058 -1.056523 0.657891
C -2.396229 2.169151 1.273926
C -3.337679 1.115978 0.702764
C -0.915272 1.997345 0.788319
C 4.844997 -1.341097 -0.276504
C 4.958424 -2.726115 -0.117812
C -3.591002 -0.083098 1.417818
C -3.953292 1.324693 -0.556984
C 3.826848 -3.500098 0.293478
C -4.426192 -1.080145 0.876324
C -4.792105 0.340748 -1.111505
C -5.009886 -0.853654 -0.388095
H 1.775383 2.264161 0.022446
H -2.371973 2.072711 2.382913
H -1.034796 -0.047909 1.069099
H 5.705792 -0.736358 -0.574166
H 5.910269 -3.231382 -0.303329
H -3.162482 -0.229935 2.417512
H -3.785720 2.274011 -1.073274
H 3.907315 -4.584615 0.420467
H -4.638943 -2.009959 1.409800
H -5.279903 0.477443 -2.080212
H 0.631321 -2.845922 1.057177
H -2.005810 4.013895 0.658959
H 5.180544 2.020849 -2.920593


