%chk=000155953.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155953

0 1
 S   0.4996000      0.9645000       1.196800    
 O   -1.703100       3.379700      0.8972000    
 O    4.093200       1.467500      0.6743000    
 O    3.089500       2.681200     -0.9584000    
 O    2.661800      -2.458900      -1.307600    
 N    2.919900     -0.6994000      0.1907000    
 C   -1.327700       1.000700      0.9850000    
 C   -1.646300       2.211800      7.2400004E-02
 C   -1.917700     -0.3192000      0.5102000    
 C   -3.002500     -0.3206000     -0.3907000    
 C   -2.939700       2.098800     -0.6786000    
 C   0.9292000      0.5531000     -0.5064000    
 C   -3.560200      0.9348000     -0.8948000    
 C    2.437000      0.3682000     -0.6873000    
 C   -1.488200      -1.552700       1.032500    
 C   -3.589500      -1.531400     -0.7893000    
 C   -2.074200      -2.753400      0.6262000    
 C   -3.119800      -2.743400     -0.2892000    
 C    3.215100       1.625900     -0.3482000    
 C    2.984000      -2.012100     -0.2098000    
 C    3.539700      -2.895300      0.8751000    
 H   -1.739300       1.187700       1.985700    
 H  -0.8960000       2.428800     -0.6879000    
 H   -3.367400       3.006500      -1.096300    
 H   0.6215000       1.336400      -1.200200    
 H   0.4325000     -0.3746000     -0.8053000    
 H   -4.482000      0.9048000      -1.466300    
 H    2.672000      9.4800003E-02  -1.722100    
 H  -0.6939000      -1.598900       1.773200    
 H   -4.423400      -1.541400      -1.487800    
 H   -1.718300      -3.694900       1.034600    
 H  -0.8351000       3.473400       1.325800    
 H   -3.579500      -3.676200     -0.6019000    
 H    3.194500     -0.4538000       1.138100    
 H    3.503400      -3.940200      0.5546000    
 H    4.578200      -2.620400       1.079400    
 H    2.946100      -2.786700       1.787400    
 H    4.591500       2.291800      0.8597000    


%chk=000155953-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155953

0 1
S 0.319657 -0.578456 1.373399
O -0.289016 2.522797 1.221856
O 2.545215 2.114668 0.288804
O 1.593404 1.774758 -1.805643
O 3.976911 -2.474317 -0.304091
N 3.412549 -0.383284 0.514641
C -1.332839 0.280945 0.935603
C -1.090179 1.678665 0.323278
C -2.319483 -0.542914 0.109415
C -3.416466 0.167988 -0.482400
C -2.413607 2.365354 0.057003
C 1.100506 -0.931662 -0.323193
C -3.488976 1.636521 -0.353015
C 2.438393 -0.162872 -0.557202
C -2.263574 -1.946832 -0.001745
C -4.425016 -0.558530 -1.164040
C -3.268796 -2.658979 -0.700110
C -4.353075 -1.963652 -1.280158
C 2.160750 1.315234 -0.794107
C 4.140175 -1.562248 0.565837
C 5.130466 -1.685370 1.716165
H -1.748612 0.434621 1.954760
H -0.556191 1.561113 -0.647132
H -2.432626 3.456606 0.141205
H 0.365134 -0.700327 -1.110883
H 1.329512 -2.008436 -0.341257
H -4.430034 2.131356 -0.621621
H 2.856622 -0.581147 -1.494211
H -1.434453 -2.486116 0.470167
H -5.266334 -0.013770 -1.609306
H -3.204844 -3.749250 -0.784062
H 0.414037 1.928964 1.611236
H -5.135869 -2.511287 -1.816075
H 3.524829 0.351000 1.215476
H 4.856325 -2.555060 2.338040
H 6.135255 -1.882452 1.305016
H 5.174299 -0.788068 2.356732
H 2.200852 3.041336 0.162418


