%chk=000007066.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007066

0 1
 S    3.291600      -2.587300       1.260800    
 N  -0.2672000     -5.5500001E-02 -0.2523000    
 N   -3.814200      -1.052100      0.2147000    
 N    1.170100       1.786200     -0.7199000    
 C   -1.407300     -0.6326000      0.4190000    
 C   -2.653200     -0.4481000     -0.4381000    
 C   0.5415000     -0.9121000      -1.121200    
 C   7.9899997E-02   1.291400     -7.6700002E-02
 C    1.769500      -1.425400     -0.4172000    
 C   -3.583100      -2.476300      0.4533000    
 C   -5.015200     -0.8581000     -0.5968000    
 C  -0.7214000       2.064000      0.7598000    
 C    3.080600      -1.186000     -0.8819000    
 C    1.719900      -2.166500      0.7271000    
 C    4.017000      -1.766900     -5.5500001E-02
 C  -0.3901000       3.401800      0.9440000    
 C    1.461100       3.090700     -0.5165000    
 C   0.7205000       3.932700      0.2972000    
 H   -1.196800      -1.701100      0.5323000    
 H   -1.538400     -0.2863000       1.450400    
 H   -2.841200      0.6217000     -0.5898000    
 H   -2.493200     -0.8810000      -1.435200    
 H   0.8111000     -0.3815000      -2.043700    
 H  -4.8400000E-02  -1.776900      -1.454800    
 H   -2.883700      -2.645100       1.278000    
 H   -3.228700      -3.002000     -0.4410000    
 H   -4.511900      -2.963900      0.7747000    
 H   -5.896800      -1.257800     -8.3099999E-02
 H   -4.936400      -1.344100      -1.576100    
 H   -5.205100      0.2093000     -0.7556000    
 H   -1.606100       1.711300       1.273900    
 H    3.341800     -0.6224000      -1.768300    
 H   0.8583000      -2.496500       1.289100    
 H    5.092500      -1.748700     -0.1617000    
 H  -0.9978000       4.031700       1.586800    
 H    2.336500       3.455600      -1.043500    
 H   0.9970000       4.972900      0.4252000    


%chk=000007066-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000007066

0 1
S 3.083156 -3.649367 0.503423
N -0.116324 0.063872 -0.438414
N -3.633157 -1.129715 0.441759
N 1.156289 1.967166 -1.010581
C -1.168611 -0.630168 0.319427
C -2.539883 -0.601758 -0.404721
C 0.755991 -0.758060 -1.311782
C 0.079986 1.439908 -0.331780
C 1.748914 -1.601572 -0.530415
C -3.523769 -2.581168 0.700045
C -4.966082 -0.770579 -0.087378
C -0.788688 2.277891 0.445778
C 2.801421 -1.030208 0.289010
C 1.760700 -2.988385 -0.517534
C 3.598591 -1.973684 0.908798
C -0.516800 3.654609 0.514103
C 1.384737 3.305856 -0.934030
C 0.589563 4.199453 -0.186061
H -0.828397 -1.669684 0.474690
H -1.288696 -0.185104 1.323961
H -2.779617 0.448569 -0.654073
H -2.453003 -1.153338 -1.378279
H 1.296536 -0.054282 -1.966703
H 0.119701 -1.410476 -1.940118
H -2.578948 -2.813625 1.219858
H -3.568465 -3.195913 -0.235887
H -4.351916 -2.899494 1.357722
H -5.747431 -1.098147 0.621809
H -5.188827 -1.232988 -1.082628
H -5.041318 0.326028 -0.195777
H -1.651236 1.865979 0.975579
H 2.944775 0.048568 0.389749
H 1.103197 -3.680817 -1.042538
H 4.453869 -1.830480 1.566535
H -1.170821 4.303514 1.107531
H 2.253190 3.665833 -1.499318
H 0.824074 5.266864 -0.154358


