%chk=000055247.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055247

0 1
 S   0.9796000       1.244900     -0.8548000    
 O   -2.338500      0.3665000      0.9879000    
 O    2.311800      0.5688000     -0.2518000    
 O   -1.884400      0.7320000      -1.248800    
 O   0.6523000      0.6261000      -2.181000    
 N  -0.1682000      0.8768000      0.3382000    
 N    4.824100      -1.259100     -0.6699000    
 C   -5.394200      -1.356600     -5.1600002E-02
 C   -3.670900      0.1450000      0.6242000    
 C   -4.065500      -1.135900      0.3112000    
 C    3.475500      0.7154000      -1.053000    
 C   -6.292600     -0.2903000     -9.1100000E-02
 C   -4.533400       1.217300      0.5944000    
 C    4.628700      4.0899999E-02 -0.3700000    
 C   -5.862300      0.9966000      0.2320000    
 C   -5.855300      -2.732600     -0.3954000    
 C   -1.489400      0.6648000     -8.5400000E-02
 C    5.408300      0.7701000      0.5073000    
 C   0.2325000      0.7806000       1.741000    
 C    6.469100      0.1158000       1.123600    
 C    6.708400      -1.225200      0.8443000    
 C    5.864500      -1.861600     -5.1600002E-02
 H   -3.356000      -1.957500      0.3450000    
 H    3.698400       1.777600      -1.217600    
 H    3.320600      0.2473000      -2.033700    
 H   -7.330000     -0.4492000     -0.3735000    
 H   -4.198100       2.218300      0.8463000    
 H   -6.561600       1.827000      0.2011000    
 H   -5.280400      -3.489800      0.1486000    
 H   -6.907400      -2.875200     -0.1265000    
 H   -5.740100      -2.909800      -1.469400    
 H    5.211100       1.815200      0.7197000    
 H  -0.6049000      0.9869000       2.411900    
 H    1.026300       1.503300       1.953100    
 H   0.5949000     -0.2348000       1.926000    
 H    7.107800      0.6495000       1.820900    
 H    7.529300      -1.755400       1.313100    
 H    6.008300      -2.907200     -0.3032000    


%chk=000055247-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055247

0 1
S 1.503435 -2.114719 -2.473098
O -1.265779 -1.529326 0.349491
O 2.317289 -0.405370 -2.352054
O -1.040958 -0.831760 -1.917814
O 2.693760 -3.169678 -2.147000
N 0.505213 -2.247307 -0.888720
N 2.807022 -0.044518 0.729396
C -4.393773 0.620570 0.296654
C -2.498474 -0.872389 0.669937
C -3.186463 0.031254 -0.166674
C 3.583594 -0.387078 -1.577092
C -4.878785 0.291481 1.585687
C -2.975175 -1.205421 1.957878
C 3.418814 0.506842 -0.367319
C -4.171696 -0.616057 2.409993
C -5.142664 1.593247 -0.599081
C -0.640913 -1.466116 -0.908496
C 3.857632 1.853884 -0.390045
C 1.075939 -2.951398 0.261592
C 3.663922 2.662036 0.752462
C 3.032117 2.100266 1.884045
C 2.620702 0.748390 1.822583
H -2.797442 0.267880 -1.158833
H 4.353117 0.000815 -2.268460
H 3.856781 -1.422459 -1.282405
H -5.810002 0.744331 1.944860
H -2.408767 -1.910181 2.573422
H -4.554203 -0.865619 3.405654
H -5.434139 1.114919 -1.552648
H -6.059888 1.966233 -0.112342
H -4.514229 2.466749 -0.854718
H 4.333363 2.256587 -1.290100
H 0.308682 -3.603326 0.710738
H 1.471465 -2.233205 0.998440
H 1.911964 -3.573537 -0.111632
H 3.994890 3.705824 0.758112
H 2.858484 2.687814 2.790829
H 2.123462 0.276842 2.678258


