%chk=000106345.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106345

0 1
 S   -1.628300     -0.6762000     -0.9139000    
 S    3.494800      -2.916300      7.9800002E-02
 O  -0.6758000     -1.0400000E-02  0.2382000    
 O    3.746000      -3.301800       1.648500    
 O   -1.480100      -2.118500     -0.8833000    
 O   -1.454600      8.3600000E-02  -2.137800    
 O    2.548100      -3.886800     -0.4497000    
 O    4.791100      -2.723500     -0.5512000    
 N    3.747800       4.681400      8.6900003E-02
 C    1.441900       1.149000      0.1627000    
 C    2.853900       1.070900      0.1107000    
 C   0.6889000     -3.6100000E-02  0.1876000    
 C    2.707700      -1.357400      0.1115000    
 C    3.471500     -0.1902000      8.5500002E-02
 C    1.318900      -1.280500      0.1623000    
 C   0.8243000       2.410100      0.1880000    
 C    3.607000       2.256000      8.5699998E-02
 C   -3.273200     -0.3571000     -0.3522000    
 C    2.976700       3.500500      0.1117000    
 C    1.588000       3.577400      0.1630000    
 C   -3.904700      0.8121000     -0.7403000    
 C   -3.900400      -1.281400      0.4656000    
 C   -5.849800      0.1445000      0.5275000    
 C   -5.202900       1.065000     -0.2969000    
 C   -5.198600      -1.028600      0.9088000    
 C   -7.238100      0.4143000       1.001200    
 H    4.557500     -0.2488000      5.4000001E-02
 H   0.7323000      -2.191200      0.2219000    
 H  -0.2588000       2.505000      0.2273000    
 H    4.694100       2.206600      4.5800000E-02
 H    1.085700       4.541200      0.1837000    
 H   -3.415600       1.545600      -1.373700    
 H   -3.408400      -2.195800      0.7823000    
 H   -5.698500       1.984300     -0.5977000    
 H   -5.690900      -1.751500       1.554000    
 H    3.291900       5.584000      0.1046000    
 H    4.756800       4.626600      4.8300002E-02
 H   -7.211900      0.9575000       1.951000    
 H   -7.796000       1.010500      0.2711000    
 H   -7.794600     -0.5182000       1.145200    
 H    2.931600      -3.393800       2.196900    


%chk=000106345-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106345

0 1
S -1.860810 1.185986 -1.009036
S 2.629743 -2.982595 1.123830
O -0.740960 0.965006 0.747844
O 2.888513 -2.729391 2.949642
O -1.195189 0.218878 -2.136721
O -2.068984 2.780252 -1.268435
O 1.333321 -3.930786 0.925325
O 4.048379 -3.382783 0.455521
N 4.650552 4.142141 -1.108033
C 1.582317 1.466899 0.150610
C 2.953079 1.007477 0.043389
C 0.544914 0.540936 0.558009
C 2.208627 -1.196827 0.740170
C 3.254138 -0.358541 0.363149
C 0.857031 -0.813311 0.830670
C 1.293207 2.827093 -0.172794
C 3.977064 1.907806 -0.373102
C -3.476136 0.448629 -0.416821
C 3.671225 3.247305 -0.693287
C 2.304992 3.692780 -0.582222
C -4.417490 1.304656 0.177244
C -3.675889 -0.931383 -0.590525
C -5.888255 -0.656210 0.469061
C -5.632234 0.733442 0.614617
C -4.900270 -1.472892 -0.144950
C -7.182711 -1.262094 0.976650
H 4.277779 -0.741561 0.290980
H 0.069186 -1.518561 1.108437
H 0.261941 3.186025 -0.098126
H 5.008849 1.544111 -0.447286
H 2.064149 4.734018 -0.828256
H -4.216793 2.375939 0.274681
H -2.915383 -1.551882 -1.075086
H -6.389718 1.377535 1.075086
H -5.088760 -2.544402 -0.275702
H 4.412394 5.100207 -1.347839
H 5.619793 3.851985 -1.201478
H -7.054391 -1.651816 2.005041
H -7.996590 -0.517685 1.006378
H -7.510519 -2.106785 0.346259
H 3.075191 -3.627598 3.351705


