%chk=000088019.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088019

0 1
 O   -3.007000       1.404800      0.2749000    
 N    3.172500     -0.1341000     -2.5900001E-02
 N   -3.191900     -0.8637000     -0.1749000    
 N   -4.573000     -0.8262000     -0.1855000    
 C    1.766400     -2.4800001E-02 -4.6999999E-03
 C    1.156300       1.190800     -0.3138000    
 C   0.9861000      -1.132300      0.3269000    
 C   -1.014500      0.1915000      4.0300000E-02
 C  -0.2342000       1.299100     -0.2912000    
 C  -0.4044000      -1.024200      0.3494000    
 C    4.002500       1.014200      0.2792000    
 C    3.805500      -1.399700     -0.3395000    
 C   -2.464300      0.3046000      6.4900003E-02
 H    1.734300       2.068700     -0.5884000    
 H    1.430200      -2.088000      0.5908000    
 H  -0.6904000       2.253300     -0.5418000    
 H  -0.9734000      -1.901400      0.6434000    
 H    4.076200       1.680800     -0.5863000    
 H    5.020200      0.7071000      0.5453000    
 H    3.610300       1.577000       1.133900    
 H    4.848600      -1.254900     -0.6427000    
 H    3.303600      -1.904400      -1.172800    
 H    3.805300      -2.060800      0.5335000    
 H   -2.757100      -1.751400     -0.4038000    
 H   -4.870300      -1.155700      -1.102900    
 H   -4.892200      -1.526900      0.4822000    


%chk=000088019-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088019

0 1
O -3.140584 1.223120 0.238968
N 3.232366 -0.110555 -0.019388
N -3.255991 -1.036931 -0.264331
N -4.678568 -1.045468 -0.306452
C 1.837603 -0.072940 -0.003519
C 1.125606 1.170205 -0.075532
C 1.062663 -1.274976 0.095545
C -1.042014 0.003876 0.010191
C -0.275655 1.196785 -0.064206
C -0.341142 -1.228894 0.100978
C 4.002913 1.139210 -0.078771
C 3.937053 -1.397419 0.047653
C -2.531096 0.126689 0.014192
H 1.671591 2.115219 -0.140509
H 1.558700 -2.245131 0.185827
H -0.816080 2.148442 -0.109402
H -0.885143 -2.174410 0.218586
H 3.793707 1.708024 -1.007336
H 5.079127 0.906890 -0.059247
H 3.781561 1.799827 0.783638
H 5.022281 -1.224969 -0.024183
H 3.644421 -2.066891 -0.786020
H 3.738722 -1.930777 1.000151
H -2.809477 -1.876793 -0.630714
H -5.011050 -0.257369 -0.883825
H -5.056214 -0.951360 0.648205


