%chk=000157100.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157100

0 1
 S  -0.2241000      0.2700000       1.523700    
 O  -0.6603000     -0.7126000       2.505400    
 O   0.2677000       1.563600       1.974100    
 O    2.015900       2.594500     -5.6699999E-02
 O   -4.094500      0.7022000     -0.3171000    
 N   -1.486500      0.5234000      0.4015000    
 N   0.4226000       2.011800      -1.599800    
 N   -4.114400      -1.370800      -1.309800    
 C    1.021300     -0.4516000      0.5269000    
 C    1.699500      0.2920000     -0.4387000    
 C    1.330700      -1.798800      0.7141000    
 C   -2.068900     -0.6184000     -0.3181000    
 C    2.686900     -0.3115000      -1.217500    
 C    2.318100      -2.402300     -6.4700000E-02
 C    2.996200      -1.658800      -1.030600    
 C    1.403500       1.700900     -0.6644000    
 C   -3.513600     -0.3336000     -0.6283000    
 H   -1.534900       1.430600     -7.9000004E-02
 H   0.8193000      -2.406200       1.454900    
 H   -1.526200     -0.7705000      -1.256300    
 H   -2.016800      -1.529400      0.2861000    
 H    3.222700      0.2568000      -1.973700    
 H    2.558500      -3.451600      7.9999998E-02
 H    3.764700      -2.128900      -1.637000    
 H  -8.2300000E-02   1.294300      -2.110300    
 H   0.1794000       2.976000      -1.800100    
 H   -3.614700      -2.218600      -1.558800    
 H   -5.089000      -1.317600      -1.586900    


%chk=000157100-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157100

0 1
S -0.331666 0.111396 1.199867
O -0.877627 -1.188426 2.030864
O -0.108765 1.536691 1.932290
O 2.727625 2.504609 -1.343676
O -4.240262 0.799791 -0.067210
N -1.573581 0.459633 -0.213049
N 0.437536 2.093701 -1.351937
N -4.755404 -1.243637 -1.050534
C 1.234027 -0.489996 0.255043
C 1.997980 0.317070 -0.619961
C 1.596572 -1.797584 0.629243
C -2.387405 -0.731238 -0.549295
C 3.199860 -0.265264 -1.109748
C 2.782026 -2.350751 0.099381
C 3.587170 -1.575494 -0.765217
C 1.739228 1.741221 -1.109097
C -3.877580 -0.319962 -0.535217
H -2.220902 1.182275 0.196021
H 0.967513 -2.352373 1.333071
H -2.097638 -1.121897 -1.540861
H -2.238020 -1.533488 0.208532
H 3.821528 0.363412 -1.755279
H 3.077983 -3.366797 0.379176
H 4.519352 -1.988163 -1.164676
H -0.371631 1.466502 -1.151930
H 0.272441 3.053963 -1.657262
H -4.447235 -2.143024 -1.416886
H -5.752324 -1.027270 -1.042751


