%chk=000153410.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153410

0 1
 S   -5.187800      5.7999999E-03 -0.7282000    
 O   -4.416100     -1.0700000E-02  0.7236000    
 O   -6.764900      0.1448000     -0.3306000    
 O   -4.803500       1.202600      -1.453700    
 O   -5.008200      -1.299400      -1.337300    
 N    1.132200     -1.0400000E-02  0.8254000    
 N    1.583000      3.5000001E-03 -0.3442000    
 N    7.180600      4.4999998E-03 -0.2403000    
 C  -0.2728000     -1.0400000E-02  0.7987000    
 C   -3.055300     -1.0900000E-02  0.7471000    
 C  -0.9629000      -1.218400      0.7715000    
 C  -0.9637000       1.197300      0.8006000    
 C   -2.357500      -1.218700      0.7456000    
 C   -2.358300       1.197100      0.7748000    
 C    2.981200      3.7000000E-03 -0.3181000    
 C    5.770500      4.1000000E-03 -0.2661000    
 C    3.679100      -1.204100     -0.3192000    
 C    3.678000       1.211800     -0.2913000    
 C    5.073700      -1.203900     -0.2931000    
 C    5.072700       1.211900     -0.2654000    
 H  -0.4271000      -2.163900      0.7714000    
 H  -0.4287000       2.142900      0.8233000    
 H   -2.893800      -2.163600      0.7267000    
 H   -2.895300       2.141700      0.7789000    
 H    3.145000      -2.150500     -0.3409000    
 H    3.143300       2.158000     -0.2912000    
 H    5.606000      -2.151700     -0.2943000    
 H    5.604300       2.159900     -0.2448000    
 H    7.686300      0.8800000     -0.2197000    
 H    7.687100     -0.8708000     -0.2398000    
 H   -7.073500     -0.4594000      0.3849000    


%chk=000153410-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000153410

0 1
S -5.797726 0.702178 -0.718266
O -4.451551 -0.481461 0.886084
O -6.752589 -0.887813 -0.614997
O -6.935901 1.863046 -0.679387
O -4.832768 0.650329 -2.039454
N 1.067109 0.244649 0.814939
N 1.731253 0.188153 -0.330123
N 7.344810 -0.173196 -0.260561
C -0.317772 0.084823 0.738704
C -3.147188 -0.278592 0.823140
C -1.007337 -0.461053 -0.402307
C -1.058913 0.447169 1.917158
C -2.385005 -0.633776 -0.367034
C -2.439451 0.295420 1.953883
C 3.125206 0.106519 -0.223566
C 5.966937 -0.081168 -0.253315
C 3.855144 -0.044956 1.003168
C 3.847204 0.163041 -1.457100
C 5.245057 -0.136779 0.988287
C 5.240098 0.071526 -1.478487
H -0.419853 -0.720397 -1.288245
H -0.501721 0.849366 2.769187
H -2.939615 -1.011350 -1.231421
H -3.029695 0.574319 2.832465
H 3.294058 -0.080015 1.941954
H 3.272791 0.279053 -2.381603
H 5.801215 -0.250053 1.926616
H 5.782669 0.116249 -2.429540
H 7.869264 -0.130519 -1.131692
H 7.868094 -0.283468 0.605272
H -6.140224 -1.458444 -0.059458


