%chk=000078590.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078590

0 1
 N   -1.748900     -0.5719000     -0.6656000    
 N    1.737000     -0.5541000      0.6742000    
 N   -2.832600       3.622700      -1.007400    
 N   -5.122500      -1.138500       2.009800    
 N    2.894000       3.624600      0.9649000    
 N    5.096900      -1.215300      -2.001500    
 C  -0.2853000     -0.5737000     -0.7045000    
 C   0.2788000     -0.5344000      0.7126000    
 C   -2.289300     -5.1800001E-02  -1.922800    
 C   -2.257100      -1.913100     -0.4039000    
 C    2.292000     -2.9800000E-02   1.922900    
 C    2.227000      -1.911700      0.4306000    
 C   -2.195400       1.473600      -1.999000    
 C   -3.670700      -1.885600      0.1816000    
 C    2.224600       1.497800       1.982900    
 C    3.639400      -1.913600     -0.1586000    
 C   -2.948200       2.175300     -0.8673000    
 C   -3.756400      -1.112600       1.498800    
 C    2.984000       2.174000      0.8400000    
 C    3.732700      -1.161900      -1.487600    
 H   0.1028000      0.3129000      -1.219900    
 H   7.2999999E-02  -1.430500      -1.287400    
 H  -9.6000001E-02  -1.353600       1.338600    
 H  -9.6799999E-02  0.3864000       1.174100    
 H   -1.783200     -0.5001000      -2.788200    
 H   -3.350500     -0.3040000      -2.032400    
 H   -2.244100      -2.528500      -1.313500    
 H   -1.630500      -2.447200      0.3202000    
 H    1.781600     -0.4592000       2.795300    
 H    3.349100     -0.2985000       2.031500    
 H    2.208700      -2.509500       1.351800    
 H    1.593100      -2.453200     -0.2804000    
 H   -1.150800       1.804700      -2.015300    
 H   -2.622200       1.789900      -2.960400    
 H   -4.382400      -1.470400     -0.5416000    
 H   -3.987400      -2.923100      0.3532000    
 H    1.185600       1.845900       2.000200    
 H    2.661000       1.817200       2.938900    
 H    4.358900      -1.497600      0.5563000    
 H    3.940800      -2.958000     -0.3149000    
 H   -2.541000       1.888000      0.1074000    
 H   -4.006500       1.894500     -0.8862000    
 H   -3.453400     -7.0100002E-02   1.363200    
 H   -3.087500      -1.560700       2.241200    
 H    2.567600       1.883000     -0.1297000    
 H    4.037400       1.875200      0.8573000    
 H    3.445100     -0.1131000      -1.367000    
 H    3.055300      -1.611500      -2.221500    
 H   -3.296100       4.076200     -0.2211000    
 H   -1.851800       3.895400     -0.9567000    
 H   -5.174800     -0.5824000       2.862300    
 H   -5.748100     -0.6933000       1.339600    
 H    3.361500       4.061500      0.1716000    
 H    1.917800       3.913600      0.9157000    
 H    5.155000     -0.6729000      -2.862400    
 H    5.730700     -0.7692000      -1.339600    


%chk=000078590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078590

0 1
N -1.737099 -0.447308 -0.799659
N 1.734937 -0.451951 0.803926
N -3.332527 3.705027 -0.465071
N -5.116878 -1.627260 1.890984
N 3.357357 3.684932 0.409040
N 5.107697 -1.718408 -1.860976
C -0.254762 -0.379586 -0.727980
C 0.253223 -0.370839 0.731595
C -2.295112 0.292848 -1.965221
C -2.251068 -1.842236 -0.699653
C 2.300812 0.300319 1.957943
C 2.234064 -1.853789 0.726680
C -2.350361 1.820485 -1.747869
C -3.670897 -1.938234 -0.100738
C 2.366719 1.824487 1.720073
C 3.653770 -1.975658 0.132421
C -3.383355 2.241048 -0.683864
C -3.723321 -1.563593 1.393441
C 3.396801 2.223243 0.644943
C 3.715198 -1.619725 -1.365905
H 0.092809 0.551068 -1.210666
H 0.223790 -1.218168 -1.292142
H -0.233122 -1.196057 1.308639
H -0.085265 0.570392 1.199951
H -1.718292 0.070279 -2.897876
H -3.324165 -0.074062 -2.143215
H -2.234699 -2.347304 -1.698512
H -1.558799 -2.414725 -0.052051
H 1.724654 0.094620 2.894919
H 3.327656 -0.071510 2.138406
H 2.210145 -2.343210 1.733247
H 1.536729 -2.428557 0.086595
H -1.346908 2.189869 -1.449104
H -2.598822 2.323903 -2.702191
H -4.361229 -1.279058 -0.667398
H -4.053655 -2.970293 -0.220399
H 1.364601 2.198342 1.422353
H 2.624650 2.338050 2.666446
H 4.352159 -1.319932 0.693200
H 4.021520 -3.011609 0.264793
H -3.205284 1.631685 0.233127
H -4.397996 1.990380 -1.052163
H -3.233400 -0.570232 1.523070
H -3.125290 -2.299175 1.967260
H 3.207855 1.604562 -0.263560
H 4.411474 1.968048 1.010018
H 3.246267 -0.618058 -1.508223
H 3.102486 -2.349532 -1.931564
H -4.095869 4.069259 0.114621
H -2.419980 4.030994 -0.127013
H -5.203269 -1.532277 2.908287
H -5.749465 -0.984247 1.401293
H 4.119849 4.035308 -0.180242
H 2.445430 4.014904 0.073169
H 5.196938 -1.636268 -2.879163
H 5.753198 -1.083392 -1.377717


