%chk=000066671.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066671

0 1
 S    1.788300       2.062100     -0.2718000    
 O    1.546000       2.714200       1.206200    
 O    3.151400       2.383900     -0.6628000    
 O   0.6644000       2.424900      -1.118600    
 N  -0.7074000      0.4451000      0.4003000    
 N    4.004500      -2.567700     -6.6500001E-02
 C   0.4850000     -0.2944000      0.2788000    
 C    1.696600      0.3307000     -2.5599999E-02
 C    2.864400     -0.4235000     -0.1401000    
 C   0.4479000      -1.677900      0.4679000    
 C    2.823900      -1.804900      4.9300000E-02
 C   -2.059500      0.1237000      0.1598000    
 C    1.615600      -2.431900      0.3533000    
 C   -3.065900      0.7437000      0.9002000    
 C   -2.390300     -0.8135000     -0.8188000    
 C   -4.403300      0.4266000      0.6620000    
 C   -3.727600      -1.130600      -1.057100    
 C   -4.734100     -0.5105000     -0.3167000    
 H  -0.5764000       1.379000      0.7777000    
 H    3.816700      4.4799998E-02 -0.3739000    
 H  -0.4722000      -2.193100      0.7301000    
 H    1.572400      -3.507000      0.5085000    
 H   -2.820900       1.475200       1.666000    
 H   -1.629400      -1.294700      -1.427100    
 H   -5.187000      0.9095000       1.238400    
 H   -3.985800      -1.856200      -1.822800    
 H    4.881300      -2.114100     -0.2862000    
 H    3.975500      -3.569200      7.1400002E-02
 H   -5.775400     -0.7565000     -0.5031000    
 H    2.214500       2.473000       1.889900    


%chk=000066671-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066671

0 1
S 1.937347 2.047446 -0.242336
O 1.015419 2.564037 1.347557
O 3.498451 2.459763 -0.134438
O 1.058817 2.639195 -1.463778
N -0.657979 0.418001 0.469247
N 4.088873 -2.688762 -0.125302
C 0.475301 -0.370002 0.222988
C 1.756786 0.203156 0.004225
C 2.963885 -0.512167 -0.087828
C 0.474006 -1.797408 0.287220
C 2.925086 -1.927848 -0.018134
C -2.009165 0.080319 0.232505
C 1.650169 -2.548451 0.160566
C -3.014066 0.781845 0.957379
C -2.406081 -0.889833 -0.730169
C -4.378286 0.512797 0.729716
C -3.774917 -1.158156 -0.939777
C -4.771966 -0.466103 -0.213374
H -0.467536 1.330103 0.910105
H 3.905756 0.029986 -0.224259
H -0.471168 -2.308407 0.490126
H 1.591300 -3.641218 0.231099
H -2.717603 1.532001 1.700648
H -1.652901 -1.398492 -1.339623
H -5.136692 1.065067 1.296061
H -4.063316 -1.902696 -1.690695
H 4.995249 -2.245543 -0.240318
H 4.051487 -3.702768 -0.089697
H -5.832381 -0.677954 -0.384620
H 0.979326 3.562790 1.353607


