%chk=000105414.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105414

0 1
 S   -4.450300       1.170100     -0.6379000    
 O   -4.379500       2.182900      -1.675000    
 O   -5.446800      0.1193000     -0.7333000    
 O    6.000800      0.6309000      0.3046000    
 O   -2.492600      -3.431600      0.8495000    
 O  -0.3202000      -3.411000      0.5344000    
 N   -4.567200       1.934300      0.9036000    
 N   0.8881000      -1.443200     -0.3904000    
 N   -1.442400      -2.855800      0.4805000    
 C   -2.864800      0.3849000     -0.5608000    
 C  -0.3889000     -0.8396000     -0.4413000    
 C   -2.776500     -0.9075000     -7.7900000E-02
 C   -1.527300      -1.525300     -1.7500000E-02
 C   -1.748700       1.081600     -0.9857000    
 C  -0.4996000      0.4638000     -0.9254000    
 C    2.181200     -0.9192000     -0.2137000    
 C   -4.506000       1.072300       2.111300    
 C   -3.841700       3.215500       1.098200    
 C    3.281300      -1.556500     -0.7921000    
 C    2.370800      0.2418000      0.5398000    
 C    4.749600      0.1234000      0.1347000    
 C    4.563600      -1.036000     -0.6183000    
 C    3.653100      0.7622000      0.7137000    
 C    6.111800       2.044000      0.4680000    
 C    7.452000       2.498800     -6.9200002E-02
 H   -3.673900      -1.422100      0.2526000    
 H   -1.814800       2.096900      -1.363900    
 H   0.3644000       1.015700      -1.284900    
 H   0.8804000      -2.435600     -0.6055000    
 H   -4.969600       1.593800       2.954900    
 H   -3.470700      0.8337000       2.370100    
 H   -5.069000      0.1480000       1.955800    
 H   -4.031400       3.895700      0.2636000    
 H   -2.766700       3.041400       1.194600    
 H   -4.201700       3.710600       2.005900    
 H    3.150400      -2.460200      -1.382300    
 H    1.539300      0.7441000       1.026700    
 H    5.414000      -1.537800      -1.072000    
 H    3.758200       1.647600       1.333700    
 H    5.334500       2.581700     -8.9299999E-02
 H    6.036700       2.290000       1.533000    
 H    7.575900       3.578900      5.0000001E-02
 H    8.269200       1.990300      0.4528000    
 H    7.547700       2.247300      -1.130800    


%chk=000105414-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105414

0 1
S -4.561417 1.179870 -0.689151
O -4.356995 2.423131 -1.718758
O -5.627055 -0.024169 -0.918765
O 6.194047 0.746741 -0.350877
O -2.573239 -3.467879 0.937656
O -0.323452 -3.548178 0.579186
N -5.064444 1.979780 0.956612
N 0.954051 -1.368998 -0.075541
N -1.475176 -2.907709 0.557669
C -2.858869 0.384674 -0.486045
C -0.286986 -0.788986 -0.213799
C -2.778704 -0.930702 -0.042403
C -1.499249 -1.525621 0.094339
C -1.711279 1.135523 -0.843354
C -0.451162 0.554024 -0.703983
C 2.237403 -0.749460 -0.157511
C -5.251464 0.951262 2.005029
C -4.150557 3.091988 1.300638
C 3.297664 -1.489191 -0.750835
C 2.516756 0.520974 0.404254
C 4.867880 0.318606 -0.249500
C 4.597943 -0.964310 -0.793771
C 3.819366 1.060569 0.353118
C 6.545403 2.068349 0.215118
C 8.037896 2.268977 -0.028498
H -3.670675 -1.527232 0.172706
H -1.829069 2.139916 -1.263765
H 0.436746 1.107586 -1.017364
H 0.902966 -2.384030 0.142809
H -5.844216 1.413326 2.815190
H -4.300738 0.565155 2.437969
H -5.840539 0.117641 1.588191
H -3.991621 3.712620 0.403179
H -3.170777 2.763038 1.716096
H -4.661926 3.713686 2.057721
H 3.091866 -2.474075 -1.184210
H 1.728742 1.079134 0.919661
H 5.420067 -1.524239 -1.248679
H 4.004839 2.041123 0.800202
H 5.943946 2.852997 -0.288172
H 6.308039 2.076400 1.298702
H 8.358861 3.247063 0.373296
H 8.623997 1.477494 0.468357
H 8.263830 2.243236 -1.107918


