%chk=000157806.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157806

0 1
 O   -1.537200      0.7267000      -1.698300    
 O   -2.236000       1.618900       1.693900    
 N   -2.400500       1.360300      0.3280000    
 C    2.409800      0.2019000     -8.2400002E-02
 C    1.057500      0.3271000     -0.7858000    
 C    3.508100     -0.2167000      -1.062100    
 C  -3.3000000E-02  0.7822000      0.1831000    
 C    4.852000     -0.3086000     -0.3859000    
 C   -1.385200      0.9525000     -0.4970000    
 C   -3.761600       1.571000     -0.1164000    
 C    5.249700      -1.511000      0.1801000    
 C    5.669900      0.8107000     -0.3398000    
 C   -4.589700      0.3241000     -1.2000001E-03
 C    6.493400      -1.595700      0.8062000    
 C    6.913600      0.7258000      0.2861000    
 C   -5.286700      6.7500003E-02   1.173800    
 C   -4.651000     -0.5619000      -1.070500    
 C    7.325200     -0.4773000      0.8591000    
 C   -6.055800      -1.091300       1.280700    
 C   -5.420100      -1.720600     -0.9636000    
 C   -6.122400      -1.985300      0.2120000    
 H    2.670900       1.162000      0.3805000    
 H    2.334600     -0.5307000      0.7311000    
 H    1.137800       1.044400      -1.612100    
 H   0.7799000     -0.6372000      -1.229300    
 H    3.258300      -1.183500      -1.518000    
 H    3.565500      0.4980000      -1.893400    
 H   0.2461000       1.742800      0.6321000    
 H  -0.1432000      4.7400001E-02  0.9892000    
 H   -3.747200       1.899500      -1.163100    
 H   -4.205300       2.391800      0.4604000    
 H    4.608300      -2.387000      0.1457000    
 H    5.357500       1.752800     -0.7812000    
 H    6.813800      -2.532400       1.252900    
 H    7.561100       1.596800      0.3279000    
 H   -5.241100      0.7563000       2.012700    
 H   -4.111800     -0.3670000      -1.993000    
 H    8.293400     -0.5433000       1.346800    
 H   -2.444900      0.7457000       2.067200    
 H   -6.602600      -1.297800       2.196200    
 H   -5.472700      -2.416400      -1.795800    
 H   -6.721300      -2.887400      0.2953000    


%chk=000157806-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157806

0 1
O -1.367147 1.113281 -1.847618
O -2.202565 0.653787 1.624931
N -2.395487 0.746581 0.184025
C 2.603322 0.248020 -0.196013
C 1.262490 0.525533 -0.908725
C 3.808887 0.244419 -1.177086
C 0.076744 0.518611 0.074443
C 5.129728 -0.039885 -0.477465
C -1.250911 0.824653 -0.616490
C -3.726489 1.235928 -0.221929
C 5.555254 -1.374233 -0.245758
C 5.945910 1.018196 -0.000008
C -4.823376 0.215674 0.057787
C 6.757966 -1.645524 0.444585
C 7.150172 0.753381 0.691284
C -5.924807 0.543831 0.884892
C -4.755729 -1.080577 -0.516843
C 7.560530 -0.580945 0.917354
C -6.948092 -0.401696 1.129610
C -5.773361 -2.027512 -0.270809
C -6.874457 -1.689850 0.552805
H 2.780111 1.010566 0.589710
H 2.560886 -0.730511 0.324935
H 1.302780 1.501852 -1.428105
H 1.091599 -0.229771 -1.699962
H 3.621345 -0.515848 -1.961185
H 3.851277 1.226346 -1.687910
H 0.231403 1.259334 0.883445
H 0.002887 -0.459311 0.589980
H -3.631789 1.447428 -1.302947
H -3.936520 2.187164 0.303816
H 4.940928 -2.205105 -0.616024
H 5.636379 2.056204 -0.176531
H 7.071886 -2.682848 0.609289
H 7.769081 1.584555 1.048739
H -5.981672 1.541143 1.338410
H -3.906079 -1.338383 -1.160810
H 8.495455 -0.788459 1.450136
H -2.594850 -0.228735 1.876654
H -7.796498 -0.135001 1.769685
H -5.714187 -3.023521 -0.723904
H -7.665904 -2.423672 0.741706


