%chk=000050566.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050566

0 1
 S  -0.9376000       1.523000      3.3399999E-02
 O   0.4391000      -1.627400       1.457800    
 O    6.073600      0.8337000      9.7400002E-02
 N   -1.417900      -1.048300     -0.4996000    
 N   -3.402200      -2.078600      0.1398000    
 N   -1.640100      -3.424400     -0.3439000    
 N   -3.208500      0.5060000     -0.5794000    
 N   -3.441800       1.857500     -0.3939000    
 C   -2.102100      -2.200400     -0.2500000    
 C   -3.981500      -3.367600      0.3659000    
 C   9.9999997E-05  -1.171100     -0.8651000    
 C   -2.798600      -4.287600      3.8100000E-02
 C   -2.250600       3.952500      0.1961000    
 C   -1.955200      0.2263000     -0.3847000    
 C   -2.341500       2.502900     -7.0600003E-02
 C   0.8533000      -1.187100      0.3876000    
 C   -2.621500       4.821600      -1.029100    
 C   -3.092400       4.401100       1.414300    
 C    2.243900     -0.6497000      0.3111000    
 C    2.921600     -0.7445000     -0.8828000    
 C    2.794000     -7.9999998E-02   1.436600    
 C    4.220900     -0.2419000     -0.9551000    
 C    4.093200      0.4226000       1.364100    
 C    4.806600      0.3416000      0.1684000    
 C    6.745100      0.7199000      -1.156300    
 H   -4.305600      -3.484500       1.404000    
 H   -4.828900      -3.549000     -0.3015000    
 H   0.1875000      -2.104100      -1.411400    
 H   0.2989000     -0.3677000      -1.548500    
 H   -3.042200      -4.958400     -0.7927000    
 H   -2.526500      -4.899900      0.9043000    
 H   -3.912700      -1.218300      0.2924000    
 H   -1.210600       4.210800      0.4409000    
 H   -3.666300       4.666500      -1.320100    
 H   -2.480500       5.885100     -0.8094000    
 H   -1.992800       4.564800      -1.888700    
 H   -2.802200       3.842100       2.310700    
 H   -2.948100       5.467600       1.616200    
 H   -4.160000       4.225600       1.241400    
 H    2.495200      -1.210300      -1.765100    
 H    2.247500     -5.2999998E-03   2.371800    
 H    4.719600     -0.3408000      -1.913300    
 H    4.543600      0.8776000       2.242000    
 H    6.894900     -0.3276000      -1.438900    
 H    6.235800       1.292300      -1.939000    
 H    7.738800       1.162600      -1.032000    


%chk=000050566-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050566

0 1
S -1.256783 2.096894 -0.631411
O 0.249095 -0.215674 1.619902
O 6.569121 -0.124481 0.426112
N -1.384354 -0.712311 -0.572119
N -3.348259 -2.112602 -0.190983
N -1.304520 -3.102226 -0.627793
N -3.389398 0.558037 -0.123411
N -3.859851 1.875653 -0.060219
C -2.001362 -1.989319 -0.459458
C -3.686704 -3.547250 -0.104901
C 0.072431 -0.718485 -0.767707
C -2.295387 -4.217306 -0.453558
C -3.161649 4.298382 -0.260044
C -2.077147 0.471990 -0.408954
C -2.944523 2.803914 -0.283467
C 0.856964 -0.404520 0.528157
C -4.662147 4.635931 -0.090966
C -2.305586 4.967905 0.852222
C 2.343259 -0.346795 0.428827
C 3.050444 -0.635212 -0.768305
C 3.089848 0.006409 1.591914
C 4.457454 -0.575440 -0.817294
C 4.486981 0.072969 1.558971
C 5.179155 -0.218192 0.351464
C 7.346671 -0.418663 -0.783755
H -4.036830 -3.816424 0.910164
H -4.477756 -3.819891 -0.828235
H 0.320193 -1.747312 -1.097664
H 0.351152 -0.009020 -1.570112
H -2.351697 -4.808838 -1.386254
H -1.954297 -4.893124 0.351042
H -3.939509 -1.288721 -0.012365
H -2.821361 4.702285 -1.236683
H -5.041212 4.253861 0.872259
H -4.798653 5.732092 -0.117346
H -5.269174 4.180403 -0.891297
H -1.228172 4.759270 0.724063
H -2.451034 6.062953 0.827247
H -2.610470 4.598269 1.847382
H 2.511969 -0.922586 -1.677490
H 2.536835 0.221972 2.511896
H 4.975702 -0.808332 -1.751760
H 5.071026 0.342811 2.443740
H 7.184944 -1.460918 -1.118912
H 7.093395 0.282424 -1.601816
H 8.396495 -0.281583 -0.487888


