%chk=000122422.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122422

0 1
 O   -1.192400      -2.045100      0.1691000    
 O    3.934400      0.5141000       1.638000    
 O   -3.717100      -1.069300      0.7328000    
 O    1.097100      -1.442400      -1.111300    
 N    1.946900      0.5743000     -0.3857000    
 C  -0.4374000      0.1693000     -0.3345000    
 C    3.328600      0.2512000     -0.6610000    
 C   0.9023000     -0.3167000     -0.6360000    
 C   -1.446300     -0.7093000      6.0699999E-02
 C  -0.7042000       1.533900     -0.4443000    
 C    3.979300     -0.3990000      0.5494000    
 C   -2.722300     -0.2230000      0.3459000    
 C   -1.980000       2.020100     -0.1591000    
 C   -2.989100       1.141800      0.2360000    
 H    3.827000       1.195900     -0.9016000    
 H    3.387400     -0.4118000      -1.529900    
 H    1.767800       1.467500      6.1000001E-02
 H   4.1900001E-02   2.248500     -0.7800000    
 H    5.025500     -0.6390000      0.3369000    
 H    3.453400      -1.313900      0.8410000    
 H   -2.190500       3.081700     -0.2518000    
 H   -3.981300       1.527000      0.4551000    
 H  -0.2511000      -2.230900      2.5800001E-02
 H    4.360400      7.6499999E-02   2.394600    
 H   -3.357900      -1.973300      0.7555000    


%chk=000122422-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122422

0 1
O -1.596867 -2.042018 -0.608930
O 4.222549 1.483346 0.672585
O -4.034003 -0.996226 -0.164025
O 0.881237 -1.803386 -0.721598
N 1.997224 0.167873 -0.245454
C -0.467592 0.107974 -0.109260
C 3.326546 -0.407505 -0.484784
C 0.839476 -0.547380 -0.372642
C -1.630126 -0.704947 -0.248487
C -0.634060 1.475378 0.263400
C 4.280216 0.007288 0.637786
C -2.927417 -0.161313 -0.016320
C -1.918471 2.000037 0.488658
C -3.073554 1.184167 0.350625
H 3.725719 -0.047709 -1.453004
H 3.221739 -1.503643 -0.538141
H 1.986375 1.147247 0.046100
H 0.232533 2.136981 0.375525
H 5.305043 -0.347841 0.407795
H 3.946635 -0.421069 1.604709
H -2.036075 3.050338 0.773155
H -4.077675 1.582375 0.523055
H -0.579783 -2.267360 -0.745587
H 4.792786 1.833066 1.400271
H -3.700054 -1.897571 -0.428834


