%chk=000095236.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095236

0 1
 S    1.174700       1.626800     -0.1990000    
 O    1.011700       2.253500       1.098900    
 O    1.604300       2.412500      -1.339900    
 N  -0.2643000      0.7755000     -0.5868000    
 C  -0.8185000     -0.2006000      0.3261000    
 C    2.329500      0.3002000     -2.2700001E-02
 C   -2.296800     -0.3090000      0.1588000    
 C    3.040700     -0.1279000      -1.130100    
 C    2.499900     -0.2868000       1.219100    
 C   -3.145200      0.5046000      0.9098000    
 C   -2.830700      -1.224100     -0.7484000    
 C    3.950900      -1.175900     -0.9916000    
 C    3.410100      -1.334700       1.357800    
 C   -4.527500      0.4029000      0.7536000    
 C   -4.213000      -1.325700     -0.9047000    
 C    4.135600      -1.779200      0.2524000    
 C   -5.061500     -0.5122000     -0.1535000    
 H  -0.5927000      6.1000001E-02   1.366000    
 H  -0.3536000      -1.175900      0.1406000    
 H  -0.4718000      0.6342000      -1.583700    
 H    2.905200      0.3229000      -2.108400    
 H    1.942100      4.1600000E-02   2.090600    
 H   -2.741500       1.223000       1.618500    
 H   -2.180500      -1.862300      -1.341000    
 H    4.514300      -1.523600      -1.852600    
 H    3.553200      -1.805600       2.326000    
 H   -5.188200       1.036700       1.337900    
 H   -4.628900      -2.037800      -1.611400    
 H    4.843600      -2.595700      0.3602000    
 H   -6.137800     -0.5911000     -0.2753000    


%chk=000095236-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095236

0 1
S 0.763688 0.535910 0.575630
O 0.509389 0.535642 2.185220
O 0.481330 1.872155 -0.326244
N -0.218525 -0.947261 -0.067004
C -1.436615 -1.234702 0.743957
C 2.533532 -0.011726 0.230248
C -2.741421 -0.646304 0.215514
C 3.189896 0.570385 -0.864963
C 3.121934 -0.943164 1.100486
C -2.838812 0.721093 -0.154673
C -3.888248 -1.471803 0.102290
C 4.526887 0.176314 -1.107881
C 4.458751 -1.321942 0.840128
C -4.064654 1.247364 -0.619164
C -5.115511 -0.944084 -0.360015
C 5.154180 -0.767481 -0.261551
C -5.206971 0.419132 -0.722180
H -1.221755 -0.868910 1.771013
H -1.511093 -2.336359 0.812673
H -0.434175 -0.716683 -1.056771
H 2.680506 1.316400 -1.483541
H 2.565198 -1.343531 1.953225
H -1.963232 1.379266 -0.082868
H -3.821408 -2.532148 0.377459
H 5.073703 0.609499 -1.951629
H 4.953661 -2.044952 1.496547
H -4.127456 2.304943 -0.899011
H -5.993478 -1.594833 -0.441704
H 6.190025 -1.066277 -0.455147
H -6.156024 0.831355 -1.082844


