%chk=000058278.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058278

0 1
 S   -2.074700       2.156100     -0.7873000    
 N    1.293100      1.0800000E-02 -0.2192000    
 N    3.659100     -0.3894000     -0.2126000    
 C   0.2270000      0.4585000      0.6884000    
 C   -1.085400     -0.2165000      0.3579000    
 C   -2.141300      0.4429000     -0.2915000    
 C   0.2054000       1.957000      0.6753000    
 C   -1.235700      -1.574600      0.6969000    
 C   -3.319600     -0.2632000     -0.5858000    
 C  -0.7202000       2.732600      0.1021000    
 C   -2.410800      -2.264000      0.4032000    
 C   -3.453500      -1.607500     -0.2387000    
 C    2.449000     -1.8400000E-02  0.3457000    
 C    4.887000     -0.3644000      0.5696000    
 C    3.720600      -1.059900      -1.503900    
 H   0.4441000      0.1696000       1.728800    
 H    1.019100       2.455200       1.200000    
 H  -0.4268000      -2.105100       1.195000    
 H   -4.151000      0.2257000      -1.089900    
 H  -0.6085000       3.810000      0.1717000    
 H   -2.509300      -3.311200      0.6731000    
 H   -4.370900      -2.139800     -0.4718000    
 H    2.582300      0.2922000       1.398400    
 H    5.764900     -0.2330000     -7.1500003E-02
 H    4.997500      -1.301300       1.124400    
 H    4.881200      0.4650000       1.284900    
 H    3.030300     -0.5986000      -2.218000    
 H    3.453000      -2.115300      -1.391400    
 H    4.723500      -1.003100      -1.939700    


%chk=000058278-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058278

0 1
S -2.020987 1.982092 -1.249752
N 1.364712 0.313917 -0.083525
N 3.569690 -0.561245 -0.174687
C 0.237823 0.753737 0.796627
C -1.011539 -0.070783 0.469094
C -2.015768 0.335207 -0.444849
C 0.054086 2.251740 0.631952
C -1.145754 -1.346616 1.074441
C -3.100278 -0.519805 -0.764156
C -0.806846 2.851261 -0.225899
C -2.219113 -2.206746 0.768291
C -3.198711 -1.791630 -0.165868
C 2.442238 -0.139859 0.511855
C 4.735063 -1.102354 0.526355
C 3.609033 -0.525919 -1.641976
H 0.486353 0.559432 1.869812
H 0.740640 2.888008 1.205054
H -0.374088 -1.669529 1.784951
H -3.869006 -0.183136 -1.468824
H -0.846697 3.934854 -0.369137
H -2.293237 -3.188711 1.247837
H -4.039527 -2.447175 -0.417814
H 2.547073 -0.222757 1.615397
H 5.651090 -0.529079 0.278440
H 4.913616 -2.163415 0.255788
H 4.580353 -1.047267 1.617754
H 2.664470 -0.084349 -1.995724
H 3.713831 -1.546877 -2.060673
H 4.460880 0.087302 -1.996666


