%chk=000086054.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086054

0 1
 O    7.238600      0.9992000     -0.9972000    
 N   -5.135300      -1.342900     -0.2283000    
 N    5.480100      0.1603000      4.1999999E-02
 N    6.008600      0.8849000     -0.9985000    
 C   -3.336600      0.2571000     -0.1159000    
 C   -2.420300     -0.7617000     -0.4095000    
 C   -4.703300     -8.2599998E-02 -3.3599999E-02
 C    1.356000     -0.4416000      0.3743000    
 C  -0.9817000     -0.5326000     -0.5218000    
 C   -2.921000       1.583000      9.3000002E-02
 C  -9.7499996E-02 -0.6537000      0.4915000    
 C   -2.862300      -2.061500     -0.6107000    
 C    4.088900     -4.2700000E-02  0.1542000    
 C    1.850300      0.2942000     -0.6902000    
 C    2.199600     -0.9821000       1.331200    
 C   -5.613300      0.9299000      0.2581000    
 C    3.226300      0.4949000     -0.8011000    
 C    3.575600     -0.7814000       1.220400    
 C   -3.852600       2.575700      0.3832000    
 C   -4.218400      -2.296900     -0.5097000    
 C   -5.200300       2.248300      0.4658000    
 C    6.318600     -0.4479000       1.102800    
 H  -0.6674000     -0.2752000      -1.529200    
 H  -0.4581000     -0.9424000       1.476800    
 H   -1.875500       1.874600      3.3300001E-02
 H   -2.183000      -2.875900     -0.8410000    
 H    1.215200      0.7496000      -1.443300    
 H    1.813600      -1.560700       2.166400    
 H   -6.674800      0.6995000      0.3283000    
 H    3.581100       1.080400      -1.644800    
 H    4.188900      -1.226700       1.996400    
 H   -3.528200       3.599400      0.5434000    
 H   -4.622500      -3.293100     -0.6573000    
 H   -5.934100       3.016500      0.6917000    
 H    6.071400     -3.0900000E-02   2.086000    
 H    7.385800     -0.2500000      0.9514000    
 H    6.212600      -1.538900       1.109900    


%chk=000086054-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086054

0 1
O 7.319402 1.549510 -0.536504
N -5.236929 -1.363731 0.106974
N 5.667909 0.160314 0.163077
N 6.057330 1.341767 -0.511305
C -3.493432 0.423597 -0.057227
C -2.443175 -0.578398 0.037186
C -4.874198 -0.027245 -0.025693
C 1.452692 -0.647451 0.315679
C -1.023255 -0.202764 -0.032234
C -3.246580 1.831945 -0.162827
C 0.025549 -0.974433 0.402910
C -2.851947 -1.922325 0.166252
C 4.267250 -0.103469 0.209970
C 1.962842 0.512638 -0.345284
C 2.400951 -1.524012 0.912839
C -5.935489 0.929158 -0.127293
C 3.334411 0.786950 -0.401458
C 3.783105 -1.264801 0.867083
C -4.301138 2.744434 -0.257163
C -4.233937 -2.260591 0.204227
C -5.657556 2.291779 -0.244486
C 6.665864 -0.733067 0.775332
H -0.800807 0.779224 -0.466386
H -0.199726 -1.932435 0.893316
H -2.219604 2.210508 -0.153599
H -2.113200 -2.728876 0.202656
H 1.274009 1.210279 -0.833284
H 2.045656 -2.425362 1.426857
H -6.959065 0.543034 -0.103939
H 3.701945 1.677771 -0.913874
H 4.473732 -1.966949 1.342136
H -4.088702 3.816300 -0.336283
H -4.535722 -3.310326 0.303809
H -6.474154 3.017866 -0.320655
H 6.501476 -0.815526 1.863754
H 7.654204 -0.282653 0.586153
H 6.625291 -1.736560 0.317284


