%chk=000133863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133863

0 1
 S   -2.813900     -0.4045000      0.2495000    
 O   0.6341000      -2.236500     -0.1087000    
 O   -2.160000       3.656200       1.125200    
 O  -0.6020000      -2.698300       2.113500    
 O   -2.419200      -3.506500      0.9943000    
 N  -0.7064000      8.5500002E-02  -1.016200    
 N    3.987400      0.4593000     -0.1007000    
 N    2.287600      0.9220000       1.543600    
 N    3.378300     -0.2153000      -2.291200    
 C   -1.328200     -0.8489000     -0.3968000    
 C   -1.395900       1.277600      -1.024100    
 C  -0.7935000      -2.273000     -0.2320000    
 C   -2.597500       1.188300     -0.3627000    
 C   0.5827000     -7.9499997E-02  -1.649300    
 C   -3.633700       2.215800     -0.1359000    
 C  -0.7912000       2.431900      -1.705500    
 C    1.674100      0.2410000     -0.6651000    
 C   -1.101400      -3.107300      -1.473400    
 C   -1.319900      -2.885900       1.090900    
 C   -3.429200       3.016200       1.160700    
 C    3.005600      0.1730000     -0.9806000    
 C    1.358000      0.6215000      0.6131000    
 C    3.563700      0.8215000       1.125300    
 C    4.620300       1.146000       2.126000    
 H   0.6642000      0.5956000      -2.507900    
 H   0.7076000      -1.072400      -2.085200    
 H   -4.632300       1.762000     -0.1155000    
 H   -3.637300       2.912700     -0.9834000    
 H   0.1998000       2.671300      -1.310100    
 H  -0.7169000       2.258800      -2.783900    
 H   -1.398600       3.333800      -1.582900    
 H  -0.6064000      -2.727800      -2.372200    
 H   -2.177000      -3.146400      -1.679500    
 H  -0.7521000      -4.138200      -1.340200    
 H   -3.453700       2.360700       2.037000    
 H   -4.206500       3.777800       1.276000    
 H   0.9514000      -3.151200     -1.5500000E-02
 H   0.3564000      0.7227000       1.007300    
 H    4.372200     -0.2606000      -2.481400    
 H    2.766900      1.9200001E-02  -3.062800    
 H   -2.180100       4.302100      0.3988000    
 H    4.366900       2.065800       2.662200    
 H    4.709000      0.3296000       2.848900    
 H    5.592100       1.290100       1.643300    


%chk=000133863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133863

0 1
S -3.069306 -0.527768 -0.461774
O 0.150119 -2.916947 -1.294052
O -2.193533 3.515480 1.253265
O 0.290347 -3.282154 1.181942
O -1.860732 -2.471976 1.749586
N -0.623059 -0.034105 -1.196337
N 4.099450 0.927296 -0.045396
N 2.426432 0.866827 1.713903
N 3.628684 0.290466 -2.239926
C -1.430658 -1.099964 -0.875611
C -1.239705 1.254198 -1.126789
C -1.108208 -2.523495 -0.693192
C -2.564507 1.193125 -0.757158
C 0.799714 -0.180564 -1.624011
C -3.546084 2.294536 -0.471488
C -0.458366 2.492509 -1.466543
C 1.803708 0.261242 -0.575535
C -2.247012 -3.489001 -1.085400
C -0.879483 -2.771165 1.017455
C -3.457004 2.817667 0.990991
C 3.168360 0.486077 -0.949085
C 1.509887 0.443632 0.790241
C 3.692447 1.110652 1.246026
C 4.717240 1.589368 2.242663
H 0.926347 0.417712 -2.547783
H 0.924807 -1.254972 -1.865300
H -4.577933 1.932445 -0.647199
H -3.387539 3.139240 -1.169694
H 0.345895 2.674324 -0.733494
H -0.000112 2.428443 -2.470774
H -1.125601 3.366542 -1.452511
H -2.456109 -3.429552 -2.168267
H -3.168295 -3.283267 -0.513319
H -1.923643 -4.515429 -0.846559
H -3.466997 1.973544 1.699035
H -4.329680 3.470546 1.200213
H 0.656690 -3.275756 -0.470387
H 0.501875 0.256354 1.178830
H 4.621178 0.457477 -2.401119
H 3.092735 -0.216233 -2.938691
H -2.230872 4.423461 0.859740
H 4.283267 2.366691 2.893370
H 5.022707 0.753178 2.898904
H 5.607949 1.975015 1.724135


