%chk=000005792.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005792

0 1
 O    1.268800      -2.230500       1.198100    
 N   -1.207900      -1.123500     -0.8728000    
 N  -0.7068000      6.5600000E-02  0.9370000    
 C    1.083000      -1.413100      2.5100000E-02
 C  -0.2608000     -0.8065000      6.0699999E-02
 C   -2.340600     -0.4081000     -0.5797000    
 C    2.227700     -0.4029000     -9.2299998E-02
 C   -2.002500      0.3260000      0.5538000    
 C   -3.593600     -0.3421000      -1.190100    
 C   -2.958900       1.181900       1.125800    
 C    2.610400      1.4900000E-02  -1.345600    
 C    2.828800      4.6900000E-02   1.060200    
 C   -4.533200      0.5148000     -0.6076000    
 C   -4.223500       1.264100      0.5298000    
 C    3.653500      0.9349000      -1.452600    
 C    3.871700      0.9669000      0.9533000    
 C    4.284000       1.410900     -0.3031000    
 H    1.158900      -2.109800     -0.8202000    
 H   -1.097300      -1.768800      -1.643800    
 H   -3.831500     -0.9247000      -2.072900    
 H   -2.728100       1.768300       2.009400    
 H    2.122200     -0.3508000      -2.243600    
 H    2.514800     -0.2740000       2.048100    
 H   -5.523100      0.5986000      -1.049200    
 H   -4.974900       1.921500      0.9598000    
 H    2.155700      -2.626800       1.144600    
 H    3.974100       1.281100      -2.430900    
 H    4.360600       1.340400       1.848400    
 H    5.095400       2.128000     -0.3862000    


%chk=000005792-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005792

0 1
O 1.007289 -2.391523 -1.079824
N -1.166231 -1.232534 -0.136366
N -0.820686 0.785147 -1.151628
C 1.048521 -0.925695 -1.319017
C -0.309535 -0.427203 -0.888418
C -2.329926 -0.491380 0.108210
C 2.209142 -0.274131 -0.568971
C -2.093951 0.777847 -0.531652
C -3.527535 -0.780796 0.793844
C -3.082437 1.786744 -0.480497
C 3.192988 0.452717 -1.279737
C 2.326679 -0.413221 0.837986
C -4.500778 0.241104 0.831486
C -4.281813 1.503933 0.205386
C 4.284094 1.036920 -0.596402
C 3.417187 0.165562 1.520252
C 4.399573 0.892214 0.804555
H 1.164615 -0.720470 -2.402142
H -0.957115 -2.204998 0.087668
H -3.704768 -1.747488 1.276878
H -2.909052 2.753460 -0.962800
H 3.099073 0.572055 -2.366129
H 1.559622 -0.966100 1.392352
H -5.446763 0.060747 1.354153
H -5.064988 2.267969 0.260846
H 1.930126 -2.743438 -1.136576
H 5.038459 1.602880 -1.153842
H 3.501153 0.058145 2.607536
H 5.243957 1.344731 1.336348


