%chk=000083122.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083122

0 1
 O   -1.795600      -2.494700     -0.3206000    
 O   -4.027300       1.650300      0.1638000    
 O   0.7493000      -2.438400     -0.4876000    
 N   0.8406000       1.590800     -0.1069000    
 C  -0.4184000      0.9484000     -8.6900003E-02
 C  -0.4827000     -0.4552000     -0.1879000    
 C    2.059300      0.8837000      4.9000001E-03
 C    2.057500     -0.5215000     -9.3500003E-02
 C   0.7731000      -1.232200     -0.2797000    
 C   -1.706000      -1.140600     -0.1927000    
 C   -1.641100       1.631600      4.5899998E-02
 C   0.8818000       3.053000     -0.1980000    
 C    3.302900       1.502500      0.2288000    
 C   -2.864200      0.9517000      4.6200000E-02
 C    3.240300      -1.269900     -8.5000005E-03
 C   -2.896800     -0.4318000     -7.8900002E-02
 C    4.485400      0.7596000      0.3186000    
 C    4.454700     -0.6240000      0.1944000    
 C   -1.773700      -3.261300      0.8814000    
 C   -5.239200      0.8980000      0.1572000    
 H   -1.672800       2.711400      0.1673000    
 H    1.773500       3.413600     -0.7224000    
 H   0.8520000       3.500500      0.8012000    
 H   5.5599999E-02   3.456800     -0.7935000    
 H    3.388700       2.578200      0.3561000    
 H    3.231000      -2.353500     -8.9500003E-02
 H   -3.814400      -1.010500     -9.2799999E-02
 H    5.430200       1.267700      0.4905000    
 H    5.373300      -1.198600      0.2649000    
 H  -0.9668000      -2.943000       1.549300    
 H   -1.616700      -4.310500      0.6165000    
 H   -2.735300      -3.171100       1.396300    
 H   -6.062700       1.611800      0.2640000    
 H   -5.295400      0.2163000       1.012700    
 H   -5.387400      0.3812000     -0.7971000    


%chk=000083122-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083122

0 1
O -2.089310 -2.557921 0.082814
O -4.029483 1.840459 -0.005750
O 0.753944 -2.530168 -0.765814
N 0.764381 1.544981 -0.004836
C -0.479469 0.872650 -0.004803
C -0.526613 -0.577575 -0.065141
C 1.978585 0.836525 0.104791
C 1.979597 -0.578535 -0.093328
C 0.717762 -1.322424 -0.337063
C -1.827653 -1.192304 0.001384
C -1.671938 1.633327 0.026066
C 0.783358 3.013035 -0.150362
C 3.214095 1.494030 0.382537
C -2.923350 0.984473 -0.017784
C 3.205078 -1.292572 -0.063023
C -3.011265 -0.422343 -0.018120
C 4.413426 0.761608 0.423641
C 4.420964 -0.638248 0.189645
C -1.258801 -3.457197 0.907169
C -5.363633 1.231291 -0.048256
H -1.675169 2.719930 0.108750
H 1.762878 3.333433 -0.531877
H 0.579826 3.532019 0.805765
H 0.026710 3.320401 -0.890432
H 3.243512 2.564937 0.600044
H 3.154884 -2.370580 -0.247941
H -3.960419 -0.960041 0.025292
H 5.350106 1.284390 0.647983
H 5.360983 -1.198368 0.217165
H -0.443484 -3.871788 0.296129
H -1.954491 -4.239551 1.251035
H -0.836171 -2.914572 1.773661
H -6.063812 2.079083 -0.062854
H -5.548059 0.608453 0.847808
H -5.494270 0.619461 -0.960793


