%chk=000054609.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054609

0 1
 O   -1.866500     -0.2546000       1.264600    
 N   -3.549300     -0.5765000     -0.3019000    
 N   0.7923000      0.5533000     -0.6407000    
 N   0.7416000      -1.803300     -0.2826000    
 N    2.038500      -1.783100      9.0499997E-02
 C   -4.662400     -0.4326000      0.6071000    
 C   -5.138100       1.011000      0.7183000    
 C   -1.251900     -0.6696000      -1.040500    
 C   -2.228700     -0.4736000      0.1114000    
 C   0.1798000     -0.6375000     -0.6299000    
 C   -5.621800       1.574900     -0.6101000    
 C    2.078500      0.5612000     -0.2688000    
 C    2.719900     -0.6264000      0.1051000    
 C    2.798600       1.753800     -0.2489000    
 C    4.059000     -0.5896000      0.4875000    
 C    4.138600       1.785000      0.1344000    
 C    4.771800      0.6076000      0.5044000    
 H   -4.367000     -0.8008000       1.595700    
 H   -5.468700      -1.074400      0.2365000    
 H   -5.956400       1.061100       1.445800    
 H   -4.328000       1.644000       1.099400    
 H   -1.439400      0.1148000      -1.783900    
 H   -1.473100      -1.630200      -1.521800    
 H   -3.752500     -0.7546000      -1.281200    
 H   -6.427700      0.9620000      -1.026200    
 H   -6.006600       2.590100     -0.4694000    
 H   -4.811300       1.624400      -1.343900    
 H    2.314000       2.684700     -0.5367000    
 H    4.565300      -1.507300      0.7796000    
 H    4.681700       2.725100      0.1428000    
 H    5.815000      0.6176000      0.8051000    


%chk=000054609-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054609

0 1
O -3.123269 3.020605 -0.032134
N -2.856666 0.718400 0.263625
N 1.158438 1.605654 -0.672018
N -0.387654 -0.288420 -0.495064
N 0.584390 -1.147554 -0.150082
C -4.046319 0.553103 1.116308
C -5.319036 0.174082 0.319293
C -1.235277 1.940839 -1.162926
C -2.487353 1.941759 -0.239739
C -0.076541 1.068679 -0.754067
C -5.209556 -1.187267 -0.399427
C 2.180959 0.737174 -0.313158
C 1.892002 -0.655703 -0.056816
C 3.523527 1.206475 -0.195984
C 2.937791 -1.557775 0.304982
C 4.534314 0.308076 0.159846
C 4.244187 -1.075489 0.410374
H -4.213110 1.508792 1.644261
H -3.826622 -0.229758 1.867594
H -6.171473 0.156983 1.027524
H -5.527258 0.978216 -0.411485
H -0.886802 2.981284 -1.235708
H -1.585706 1.631560 -2.168118
H -2.245122 -0.083590 0.033048
H -5.029126 -2.007018 0.322220
H -6.137501 -1.422576 -0.951497
H -4.377150 -1.187165 -1.127184
H 3.724001 2.263962 -0.391380
H 2.681125 -2.605187 0.491651
H 5.567221 0.660859 0.250495
H 5.058787 -1.752500 0.687265


