%chk=000094706.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094706

0 1
 S   -1.439500       1.375800      0.3604000    
 S   -4.175100      0.3433000     -8.8000000E-02
 O    3.535400     -0.1507000      0.5924000    
 O   -4.884100     -0.8964000      0.2076000    
 O   -4.495600       1.550600      0.6648000    
 O    5.559800      0.1474000      -1.294400    
 N   -1.883500      -1.120200     -0.1139000    
 N   -4.339600      0.6829000      -1.755800    
 C  -7.5900003E-02  0.3215000      0.3143000    
 C  -0.5128000     -0.9794000      4.6599999E-02
 C    2.210500     -0.4170000      0.4144000    
 C    1.282400      0.6237000      0.5015000    
 C   -2.465300      4.7600001E-02  2.9700000E-02
 C   0.4458000      -2.012600     -3.6300000E-02
 C    1.799800      -1.718800      0.1491000    
 C    3.991600       1.146100      0.2137000    
 C    5.446100       1.056100     -0.2059000    
 H    1.568500       1.644100      0.7347000    
 H   0.1360000      -3.033000     -0.2432000    
 H    2.531700      -2.519900      8.3400004E-02
 H    3.425400       1.526100     -0.6467000    
 H    3.889900       1.832400       1.061200    
 H    6.069800      0.6782000      0.6103000    
 H    5.826600       2.031200     -0.5223000    
 H   -4.169800     -9.3199998E-02  -2.408400    
 H   -5.141700       1.262600      -2.034000    
 H    5.206900     -0.7090000     -0.9981000    


%chk=000094706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094706

0 1
S -1.440364 1.612026 0.217471
S -4.379982 0.385821 0.027702
O 3.610471 -0.224046 0.097094
O -5.086670 -0.809930 0.862449
O -4.600396 1.961636 0.366435
O 6.143493 0.477592 -1.115308
N -1.943492 -1.026228 -0.090009
N -4.738377 0.197706 -1.757777
C -0.055639 0.434532 0.103701
C -0.540893 -0.906419 -0.054539
C 2.219616 -0.357735 0.053831
C 1.319294 0.730592 0.161644
C -2.509057 0.135212 0.036207
C 0.383644 -1.975979 -0.158476
C 1.753923 -1.697915 -0.104254
C 4.188309 1.130197 0.255441
C 5.702342 0.937410 0.201340
H 1.672316 1.756759 0.284332
H 0.012418 -2.997576 -0.275686
H 2.497356 -2.496470 -0.177514
H 3.850739 1.774979 -0.579752
H 3.868977 1.564325 1.224751
H 6.015381 0.236349 1.002607
H 6.204602 1.906512 0.359109
H -5.137504 -0.737802 -1.934504
H -5.342648 0.981213 -2.054541
H 5.675441 -0.373362 -1.314655


