%chk=000162228.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162228

0 1
 O   -4.247700       1.811200      0.3794000    
 O   -5.893500     -0.3636000     -0.1537000    
 O    2.487500       1.849400      0.4271000    
 N   0.4995000      1.1200000E-02  3.7500001E-02
 N    1.811500     -0.3195000     -1.8300001E-02
 N    6.814200     -0.5392000     -8.2400002E-02
 C   -1.766000     -0.8113000     -0.1909000    
 C   -3.712400      0.5895000      0.1028000    
 C   -4.538400     -0.5023000     -0.1640000    
 C   -2.326200      0.4350000      8.9500003E-02
 C   -2.592000      -1.903100     -0.4579000    
 C   -3.978200      -1.748600     -0.4444000    
 C  -0.3207000     -0.9728000     -0.2042000    
 C    4.171600      0.2489000      9.4899997E-02
 C    2.750700      0.6729000      0.1909000    
 C    5.120000       1.175600     -0.2678000    
 C    4.496900      -1.057500      0.3721000    
 C   -4.483700       2.680800     -0.7262000    
 C   -6.558300     -0.5850000       1.088700    
 C    6.430300      0.7307000     -0.3422000    
 C    5.834900      -1.402500      0.2690000    
 H   -1.701100       1.299000      0.3017000    
 H   -2.170600      -2.880500     -0.6781000    
 H   -4.615800      -2.603200     -0.6539000    
 H   6.2399998E-02  -1.985100     -0.4322000    
 H    2.039700      -1.276400     -0.2659000    
 H    4.880500       2.208000     -0.4943000    
 H    3.785500      -1.809700      0.6899000    
 H   -5.189900       2.227800      -1.429100    
 H   -3.544200       2.916100      -1.236300    
 H   -4.917000       3.609600     -0.3451000    
 H   -6.206600      0.1231000       1.845600    
 H   -6.398200      -1.612200       1.431400    
 H   -7.629800     -0.4301000      0.9361000    
 H    7.231200       1.406600     -0.6236000    
 H    6.165800      -2.414000      0.4804000    


%chk=000162228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000162228

0 1
O -4.257199 1.762122 0.504290
O -5.967364 -0.514139 -0.181032
O 2.539303 1.885282 0.343100
N 0.540409 -0.064474 -0.027270
N 1.896419 -0.334845 -0.092740
N 7.037261 -0.528804 0.034426
C -1.732857 -0.873001 -0.290687
C -3.717045 0.512331 0.119371
C -4.562436 -0.599912 -0.195268
C -2.321622 0.366612 0.087784
C -2.578444 -1.959115 -0.649675
C -3.978914 -1.821268 -0.598359
C -0.279482 -1.048857 -0.337527
C 4.274912 0.204246 0.103997
C 2.840522 0.679077 0.142163
C 5.275826 1.155127 -0.214979
C 4.689036 -1.118005 0.410897
C -4.984158 2.469064 -0.577350
C -6.577498 -0.140337 1.119395
C 6.626210 0.746997 -0.243725
C 6.066904 -1.431705 0.363403
H -1.684177 1.218333 0.343791
H -2.137894 -2.915252 -0.957214
H -4.645287 -2.651238 -0.852685
H 0.087332 -2.050264 -0.647764
H 2.228992 -1.268796 -0.377956
H 4.986461 2.189072 -0.424450
H 3.979124 -1.891169 0.726361
H -5.826295 1.859752 -0.954050
H -4.291483 2.706422 -1.406376
H -5.354753 3.399222 -0.120974
H -6.170486 0.816472 1.489750
H -6.392684 -0.939813 1.861043
H -7.655917 -0.056125 0.918336
H 7.421144 1.457323 -0.495450
H 6.418038 -2.441534 0.603925


