%chk=000058290.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058290

0 1
 S  -0.3402000      -2.200100     -5.6800000E-02
 O    4.432600       1.174000     -2.3100000E-02
 N  -0.3708000      0.3613000      0.2436000    
 N   -4.435200      0.6398000     -0.1697000    
 N   -2.488100     -0.7154000      0.2783000    
 C   0.9579000     -1.0500000E-02  0.1004000    
 C    1.176500      -1.380300     -7.5499997E-02
 C    2.072000      0.8566000      0.1177000    
 C    3.359300      0.3351000     -3.9900001E-02
 C    2.466700      -1.910900     -0.2344000    
 C    3.551800      -1.031000     -0.2135000    
 C   -1.135100     -0.7037000      0.1770000    
 C   -3.079700      0.3614000     -0.1456000    
 C   -5.410200     -0.3254000      0.3175000    
 C   -4.923900       1.985800     -0.4348000    
 C    4.166400       2.563300      0.1588000    
 H    1.857900       1.909500      0.2564000    
 H    2.624600      -2.976400     -0.3704000    
 H    4.557000      -1.427600     -0.3353000    
 H   -2.502700       1.214500     -0.5500000    
 H   -5.141100      -1.342100      1.2200000E-02
 H   -6.410000     -0.1219000     -8.0200002E-02
 H   -5.459600     -0.2901000       1.410400    
 H   -4.289600       2.499200      -1.165200    
 H   -4.931700       2.570400      0.4905000    
 H   -5.939400       1.967900     -0.8439000    
 H    5.131200       3.081100      0.1465000    
 H    3.710800       2.762100       1.134800    
 H    3.575100       2.972100     -0.6676000    


%chk=000058290-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058290

0 1
S -0.401373 -2.251516 0.068683
O 4.602413 1.076739 -0.034243
N -0.335888 0.451647 -0.021049
N -4.566880 0.713857 -0.028696
N -2.572330 -0.541023 0.007475
C 0.999021 0.022624 -0.004345
C 1.195082 -1.397439 0.043343
C 2.118777 0.892664 -0.031845
C 3.411232 0.328148 -0.010796
C 2.491735 -1.950081 0.064312
C 3.599961 -1.082872 0.037253
C -1.194793 -0.565313 0.011740
C -3.200214 0.625720 -0.018906
C -5.410796 -0.491895 -0.013476
C -5.245135 2.015733 -0.058731
C 4.476137 2.533496 -0.088440
H 1.942446 1.970374 -0.068049
H 2.646909 -3.032533 0.100905
H 4.622696 -1.470163 0.051972
H -2.665825 1.590006 -0.034154
H -4.749305 -1.370519 0.009760
H -6.047085 -0.529068 -0.918129
H -6.064126 -0.494078 0.879637
H -4.501679 2.829583 -0.068240
H -5.891773 2.141243 0.831068
H -5.877648 2.107354 -0.962749
H 5.508721 2.912549 -0.101349
H 3.945140 2.925449 0.801295
H 3.947080 2.858014 -1.006046


