%chk=000116988.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116988

0 1
 S    8.360500       1.096900      0.2171000    
 S   -8.439100       1.627500      6.2500000E-02
 O    3.098700      -1.456600     -2.5599999E-02
 O    8.757200       1.405800      -1.338000    
 O   -1.746600      0.5799000      6.7599997E-02
 O    8.164900       2.382300      0.8700000    
 O    9.312400      0.1326000      0.7442000    
 O   -8.446700       2.425600       1.489500    
 O   -8.422200       2.635800     -0.9875000    
 O   -9.485600      0.6181000      0.1043000    
 N    3.119900      0.8385000      0.1375000    
 N   -3.258000      -1.255700     -8.2099997E-02
 N   -3.160900      -2.641900     -0.1803000    
 C    4.430200      0.3845000      0.1207000    
 C    2.308100     -0.2838000      4.8999999E-02
 C    4.409000      -1.014300      2.0800000E-02
 C    2.778600       2.235800      0.2343000    
 C    5.635800       1.051600      0.1823000    
 C    6.810900      0.2907000      0.1418000    
 C    5.546700      -1.787900     -2.0800000E-02
 C   0.9739000     -0.3788000      2.7799999E-02
 C    6.766400      -1.113900      4.1299999E-02
 C   -1.064400      -1.730400     -9.0300001E-02
 C    2.694200       2.849900      -1.149800    
 C   0.2698000      -1.634800     -6.8999998E-02
 C   -1.889600      -2.934600     -0.1846000    
 C   -2.014400     -0.6029000     -2.0400001E-02
 C   -4.469000     -0.5820000     -4.8500001E-02
 C   -4.570100      0.7156000     -0.5624000    
 C   -5.602600      -1.192800      0.4999000    
 C   -1.343700      -4.318100     -0.2768000    
 C   -6.914200      0.7786000      1.9800000E-02
 C   -5.788600       1.393800     -0.5282000    
 C   -6.821200     -0.5148000      0.5340000    
 H    1.812100       2.355900      0.7380000    
 H    3.500500       2.786400      0.8489000    
 H    5.669300       2.133200      0.2490000    
 H    5.502900      -2.867200     -0.1000000    
 H   0.4315000      0.5529000      8.4200002E-02
 H    7.681600      -1.699000      1.6000000E-03
 H    3.652900       2.785600      -1.675000    
 H    1.942300       2.342600      -1.763800    
 H    2.417300       3.906500      -1.079700    
 H   0.8596000      -2.545300     -0.1271000    
 H   -3.733900       1.219200      -1.037100    
 H   -5.553100      -2.196800      0.9143000    
 H  -0.7333000      -4.534500      0.6040000    
 H  -0.7308000      -4.414100      -1.177100    
 H   -2.161700      -5.042100     -0.3266000    
 H   -5.838600       2.399300     -0.9364000    
 H   -7.681700      -1.010600      0.9742000    
 H    8.138200       2.001700      -1.822000    
 H   -7.732700       3.096300       1.602500    


%chk=000116988-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116988

0 1
S 8.652640 1.132057 0.075226
S -8.707730 1.615833 -0.112859
O 3.274521 -1.481229 0.068854
O 8.837368 1.184982 -1.770534
O -1.691351 0.787361 0.028938
O 8.452279 2.642182 0.620884
O 9.800555 0.170592 0.683019
O -8.958482 1.712256 1.732994
O -8.590714 3.127888 -0.681609
O -9.815903 0.600175 -0.715158
N 3.297928 0.801627 0.119116
N -3.270227 -1.037346 0.008244
N -3.222402 -2.471733 0.011492
C 4.638945 0.376422 0.086354
C 2.457832 -0.315347 0.088393
C 4.618797 -1.043912 0.065073
C 2.830128 2.204670 0.113308
C 5.856261 1.074675 0.078622
C 7.002945 0.254713 0.061447
C 5.765645 -1.837434 0.053176
C 1.075846 -0.365675 0.076408
C 7.008146 -1.151185 0.048585
C -1.060307 -1.630665 0.044699
C 2.567646 2.739407 -1.308899
C 0.332124 -1.580140 0.065302
C -1.923547 -2.803333 0.033075
C -1.967390 -0.457769 0.028247
C -4.533686 -0.403024 -0.014066
C -4.630836 1.018406 -0.016249
C -5.708711 -1.206470 -0.042015
C -1.505337 -4.245288 0.042921
C -7.036082 0.806228 -0.060831
C -5.898176 1.629284 -0.035512
C -6.975512 -0.598022 -0.061851
H 1.913596 2.258682 0.726155
H 3.597835 2.809521 0.627249
H 5.940772 2.164649 0.099832
H 5.711161 -2.927875 0.044729
H 0.509553 0.572018 0.070387
H 7.954555 -1.699152 0.050680
H 3.480863 2.702780 -1.927964
H 1.777757 2.157494 -1.813642
H 2.232048 3.789557 -1.252059
H 0.886521 -2.528505 0.072109
H -3.720239 1.620104 -0.000109
H -5.605897 -2.292874 -0.044543
H -0.914777 -4.485398 0.946730
H -0.881114 -4.487939 -0.837293
H -2.396370 -4.892960 0.027138
H -5.998236 2.718887 -0.046692
H -7.891197 -1.196145 -0.093982
H 9.725218 1.600208 -1.977706
H -9.852558 2.136965 1.886183


