%chk=000120903.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120903

0 1
 O    3.397800      -2.033600      4.9400002E-02
 O  -0.4468000     -0.9560000     -0.4917000    
 N    1.514100       1.875800      3.5599999E-02
 C    1.875300     -0.5540000     -0.1002000    
 C    2.364500      -1.738600     -0.9179000    
 C    3.046900     -0.8608000      0.8187000    
 C    1.978200      0.7817000     -0.8167000    
 C   0.5199000     -0.7417000      0.5292000    
 C    1.620000       3.152900     -0.6693000    
 C    2.280100       1.914100       1.280700    
 C   -1.727700     -0.5501000     -0.2240000    
 C   -2.192300     -0.5570000       1.086400    
 C   -2.550500     -0.1362000      -1.265400    
 C   -3.496800     -0.1447000       1.359000    
 C   -3.854900      0.2762000     -0.9930000    
 C   -4.328000      0.2720000      0.3193000    
 H    1.674900      -2.581800      -1.025000    
 H    2.798900      -1.508900      -1.896300    
 H    3.894600     -0.1702000      0.8205000    
 H    2.805500      -1.133400       1.851100    
 H    1.352500      0.7495000      -1.718700    
 H    3.006200      0.9599000      -1.162600    
 H   0.2531000      9.2900001E-02   1.184800    
 H   0.5233000      -1.642900       1.157500    
 H    2.655700       3.397200     -0.9322000    
 H    1.218700       3.966800     -5.5300001E-02
 H    1.025300       3.135100      -1.589500    
 H    2.007300       2.815500       1.845500    
 H    3.360900       1.973700       1.109600    
 H    2.048600       1.100500       1.970500    
 H   -1.592100     -0.9060000       1.921000    
 H   -2.185600     -0.1311000      -2.288600    
 H   -3.868400     -0.1554000       2.379500    
 H   -4.502200      0.6004000      -1.802600    
 H   -5.344200      0.5914000      0.5312000    


%chk=000120903-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120903

0 1
O 3.055746 -2.376478 0.039432
O -0.475317 -0.413397 -0.527670
N 1.928149 2.016137 0.199667
C 1.877992 -0.508662 -0.042812
C 2.143111 -1.728745 -0.980871
C 2.974628 -1.131053 0.886077
C 2.171189 0.862583 -0.692719
C 0.482876 -0.536388 0.586853
C 1.703401 3.272893 -0.542868
C 2.929643 2.165379 1.272027
C -1.842402 -0.340081 -0.218366
C -2.369235 -0.393871 1.096479
C -2.710795 -0.210528 -1.331548
C -3.769115 -0.314662 1.284106
C -4.102307 -0.133475 -1.127225
C -4.642267 -0.184537 0.182100
H 1.271696 -2.364695 -1.209026
H 2.696063 -1.486392 -1.908541
H 3.940053 -0.591489 0.884008
H 2.675606 -1.372308 1.923638
H 1.491156 0.963644 -1.558667
H 3.220151 0.850218 -1.090268
H 0.364528 0.324306 1.274218
H 0.308130 -1.492337 1.122815
H 2.598232 3.618371 -1.119729
H 1.425944 4.075590 0.163992
H 0.867534 3.139073 -1.251606
H 2.674752 3.043301 1.891867
H 3.972416 2.304114 0.887343
H 2.926575 1.280285 1.932165
H -1.711595 -0.494768 1.964665
H -2.277192 -0.173664 -2.335967
H -4.173910 -0.356323 2.301800
H -4.768079 -0.034000 -1.991970
H -5.724559 -0.124842 0.337100


