%chk=000052615.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052615

0 1
 S   -1.502100     -0.7048000     -0.2753000    
 O   -1.360800      -1.099300      -1.662100    
 O   -1.770700      -1.663500      0.7763000    
 N  -0.1752000      0.3059000      0.2051000    
 C    1.129600      9.1399997E-02 -0.4516000    
 C  -0.5927000       1.734500      0.2744000    
 C   -2.705200      0.6132000     -0.1886000    
 C   -2.064500       1.689800      0.6743000    
 C    1.581600      -1.353600     -0.2001000    
 C    2.153700       1.088200      0.1085000    
 C    1.780400      -1.659400       1.279100    
 C    3.525900      0.9578000     -0.5401000    
 H    1.021000      0.2591000      -1.530400    
 H  -0.4698000       2.222900     -0.6983000    
 H  -3.5799999E-02   2.276000       1.044100    
 H   -3.636900      0.2338000      0.2357000    
 H   -2.875500      0.9786000      -1.205700    
 H   -2.148200       1.406900       1.731200    
 H   -2.553900       2.659700      0.5471000    
 H   0.8592000      -2.068500     -0.6074000    
 H    2.514300      -1.560500     -0.7369000    
 H    2.242800       1.024300       1.198800    
 H    1.833500       2.114500     -0.1056000    
 H    2.633900      -1.118700       1.697800    
 H   0.8944000      -1.429800       1.877500    
 H    1.990900      -2.727300       1.404600    
 H    4.029900      3.3799998E-02 -0.2432000    
 H    3.452000      0.9818000      -1.632000    
 H    4.166200       1.789900     -0.2284000    


%chk=000052615-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052615

0 1
S -1.525509 -0.711510 -0.391397
O -1.338798 -0.888821 -2.008766
O -1.745629 -2.023172 0.538485
N -0.119474 0.410061 0.352594
C 1.169263 0.125245 -0.377779
C -0.672545 1.788356 0.187126
C -2.887680 0.645524 -0.064145
C -2.140635 1.753977 0.682595
C 1.584847 -1.350744 -0.146919
C 2.234689 1.150478 0.109112
C 1.848485 -1.731128 1.324920
C 3.632046 0.902797 -0.500086
H 1.021039 0.274001 -1.473966
H -0.611204 2.158000 -0.863247
H -0.087085 2.466653 0.830483
H -3.673357 0.133661 0.507748
H -3.216626 0.920899 -1.077041
H -2.146848 1.558066 1.768031
H -2.619601 2.731877 0.497043
H 0.802279 -2.014682 -0.561417
H 2.485360 -1.542067 -0.760838
H 2.291690 1.118162 1.213836
H 1.910528 2.171877 -0.168201
H 2.690664 -1.157888 1.755685
H 0.951900 -1.546186 1.939809
H 2.099055 -2.804375 1.402281
H 4.073246 -0.042923 -0.140578
H 3.586672 0.859726 -1.604501
H 4.321229 1.720835 -0.222067


