%chk=000031579.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031579

0 1
 S    1.005200       2.775400      0.3127000    
 N   -4.006200     -0.8005000     -0.2068000    
 C  -0.6596000      0.9836000     -0.4427000    
 C   -1.914000      0.3344000     -0.8992000    
 C   0.5705000      0.2812000     -0.2114000    
 C    1.578900       1.152500      0.2120000    
 C   -2.793400     -0.1425000      0.2675000    
 C   0.8856000      -1.092800     -0.3449000    
 C  -0.5598000       2.332500     -0.1973000    
 C    2.173100      -1.554300     -5.8400001E-02
 C    2.877800      0.6905000      0.5017000    
 C    3.157200     -0.6701000      0.3604000    
 C    2.488700      -3.005100     -0.2042000    
 C   -4.803900      -1.284900      0.9106000    
 H   -2.487200       1.040500      -1.515600    
 H   -1.682500     -0.5103000      -1.560200    
 H   -3.059600      0.7196000      0.8922000    
 H   -2.214600     -0.8324000      0.8951000    
 H   0.1221000      -1.795300     -0.6711000    
 H   -1.332600       3.082800     -0.2920000    
 H    3.654600       1.375600      0.8295000    
 H    4.160800      -1.024900      0.5825000    
 H   -3.756100      -1.585000     -0.8081000    
 H    2.786600      -3.222900      -1.234700    
 H    3.302000      -3.304800      0.4655000    
 H    1.621100      -3.623700      5.0000001E-02
 H   -5.711600      -1.763100      0.5296000    
 H   -5.115200     -0.4621000       1.562400    
 H   -4.257800      -2.025500       1.504100    


%chk=000031579-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031579

0 1
S 1.151011 2.970392 0.187026
N -3.945740 -0.855215 -0.144943
C -0.660823 1.108150 -0.495819
C -1.965702 0.448169 -0.890277
C 0.577978 0.377151 -0.230089
C 1.659814 1.228483 0.153838
C -2.680779 -0.238621 0.301786
C 0.816845 -1.022870 -0.320316
C -0.509989 2.468434 -0.322166
C 2.088375 -1.559388 -0.032336
C 2.939599 0.716968 0.448302
C 3.141135 -0.674076 0.354161
C 2.351222 -3.053115 -0.124038
C -4.751099 -1.457067 0.934011
H -2.663333 1.188090 -1.320769
H -1.775781 -0.308482 -1.680489
H -2.921547 0.526443 1.064820
H -1.984363 -0.965527 0.790830
H 0.001637 -1.691640 -0.621882
H -1.261649 3.245807 -0.456552
H 3.760931 1.378953 0.741308
H 4.131072 -1.089079 0.579876
H -3.792556 -1.509566 -0.924312
H 3.169604 -3.275209 -0.834535
H 2.650613 -3.469869 0.856360
H 1.455528 -3.602564 -0.461494
H -5.665384 -1.908166 0.509110
H -5.067388 -0.666878 1.640172
H -4.219130 -2.241310 1.527614


