%chk=000013760.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013760

0 1
 S    2.813500       1.776400     -0.7475000    
 S   -2.812400       1.766100      0.7650000    
 N    1.349400      0.5266000      0.9691000    
 N   -1.361600      0.5426000     -0.9817000    
 C   0.5886000       2.826600      0.4874000    
 C  -0.6111000       2.843600     -0.4886000    
 C    1.489900       1.664500      0.3301000    
 C   -1.520200       1.649700     -0.3273000    
 C    3.265100      0.1618000     -0.3448000    
 C   -3.257600      0.1520000      0.3533000    
 C    2.360200     -0.3457000      0.5925000    
 C   -2.361300     -0.3404000     -0.6001000    
 C    4.342300     -0.6008000     -0.8238000    
 C   -4.323200     -0.6226000      0.8390000    
 C    2.542300      -1.663300       1.065500    
 C   -2.540100      -1.655000      -1.082800    
 C    4.499800      -1.901800     -0.3395000    
 C   -4.477600      -1.920300      0.3449000    
 C    3.612700      -2.428200      0.5929000    
 C   -3.598800      -2.431800     -0.6036000    
 H   0.2115000       2.837200       1.518600    
 H    1.146400       3.764200      0.3669000    
 H  -0.2428000       2.859600      -1.522500    
 H   -1.174000       3.774800     -0.3483000    
 H    5.038900     -0.1965000      -1.551800    
 H   -5.013200     -0.2300000       1.579600    
 H    1.854900      -2.084500       1.793600    
 H   -1.859200      -2.064600      -1.823600    
 H    5.327100      -2.509000     -0.6974000    
 H   -5.295900      -2.536700      0.7077000    
 H    3.750900      -3.442100      0.9582000    
 H   -3.734500      -3.443300     -0.9763000    


%chk=000013760-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013760

0 1
S 2.604391 1.575928 -1.133330
S -2.610839 1.558460 1.141292
N 1.630971 0.706529 1.228718
N -1.634010 0.704394 -1.224949
C 0.580602 2.871226 0.523315
C -0.593502 2.870719 -0.509691
C 1.509555 1.699722 0.378477
C -1.516876 1.694148 -0.370122
C 3.217402 0.019658 -0.442013
C -3.216994 0.002685 0.442866
C 2.574327 -0.256475 0.810492
C -2.572980 -0.264765 -0.811047
C 4.181209 -0.855456 -0.980380
C -4.176742 -0.879173 0.977433
C 2.907022 -1.429283 1.527568
C -2.900690 -1.435711 -1.533452
C 4.501761 -2.021963 -0.249788
C -4.492334 -2.043693 0.241545
C 3.870378 -2.305909 0.991716
C -3.860023 -2.319060 -1.001421
H 0.179685 2.847446 1.551759
H 1.141969 3.816498 0.399444
H -0.192528 2.853565 -1.538239
H -1.159453 3.812682 -0.381522
H 4.671185 -0.646251 -1.936009
H -4.667365 -0.676578 1.934153
H 2.408442 -1.631336 2.480004
H -2.401486 -1.631160 -2.486940
H 5.248137 -2.716473 -0.650343
H -5.235496 -2.743383 0.639049
H 4.136376 -3.218052 1.536208
H -4.122096 -3.229837 -1.550094


