%chk=000033431.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033431

0 1
 N    2.861000     -0.6515000     -0.1483000    
 N   -1.653400      -1.917900     -4.6799999E-02
 N   -1.024200      0.1521000      0.8575000    
 N    1.285700      0.8002000      0.8056000    
 N   0.6115000      -1.312700     -0.1104000    
 C  -0.6975000       3.431300      0.8165000    
 C    5.276900     -0.2760000     -0.4033000    
 C   -3.908000      -2.894500     -0.1168000    
 C   -1.942000       3.145300     -2.9700000E-02
 C  -0.3578000       2.294300       1.786800    
 C    3.934100      0.2545000      0.1181000    
 C   -3.028700      -1.698700      0.2747000    
 C   -2.257800       4.315000     -0.9627000    
 C  -8.7000001E-03  0.9952000       1.105000    
 C    1.521000     -0.3748000      0.1998000    
 C  -0.6393000     -0.9809000      0.2483000    
 C    5.656200      -1.611500      0.2389000    
 C    5.297800     -0.3877000      -1.928700    
 C   -3.846100      -3.187300      -1.616900    
 C   -3.566300      -4.148100      0.6903000    
 C   -3.514300       4.053600      -1.777800    
 H  -0.8569000       4.348300       1.396700    
 H   0.1580000       3.615700      0.1546000    
 H    6.044500      0.4558000     -0.1190000    
 H   -4.944800      -2.624000      0.1233000    
 H   -2.797800       2.955300      0.6293000    
 H   -1.792500       2.246900     -0.6385000    
 H   0.4897000       2.601000       2.412000    
 H   -1.199800       2.125500       2.469200    
 H    4.017200      0.4241000       1.199000    
 H    3.732700       1.227300     -0.3479000    
 H   -3.394200     -0.8054000     -0.2475000    
 H   -3.141200      -1.513600       1.350400    
 H   -1.415300       4.486900      -1.642700    
 H   -2.395200       5.231800     -0.3776000    
 H    3.024800      -1.534300     -0.6171000    
 H   -1.350000      -2.774000     -0.4953000    
 H    4.985400      -2.421600     -6.3800000E-02
 H    6.672200      -1.899900     -5.2200001E-02
 H    5.632600      -1.538300       1.331200    
 H    4.590800      -1.139900      -2.293200    
 H    6.295800     -0.6719000      -2.279400    
 H    5.043100      0.5713000      -2.391900    
 H   -4.080100      -2.289300      -2.198400    
 H   -4.578200      -3.956700      -1.885900    
 H   -2.860700      -3.548500      -1.927800    
 H   -3.626200      -3.946500       1.765000    
 H   -4.271400      -4.955100      0.4634000    
 H   -2.558800      -4.514900      0.4687000    
 H   -4.382200       3.910800      -1.126000    
 H   -3.721200       4.901800      -2.437900    
 H   -3.400000       3.159500      -2.399000    


%chk=000033431-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000033431

0 1
N 2.812872 -0.959177 0.902666
N -1.514495 -2.680603 1.159139
N -1.212040 -0.360004 1.521275
N 1.041204 0.532782 1.393429
N 0.661594 -1.852477 1.020516
C -0.583403 3.030022 0.693556
C 4.417521 0.468302 -0.450323
C -3.775466 -2.820730 0.016298
C -1.376422 2.665107 -0.580960
C -0.826118 2.051131 1.875635
C 3.848065 0.082586 0.945577
C -2.972238 -2.623827 1.334872
C -1.104541 3.632740 -1.755243
C -0.306405 0.659715 1.585963
C 1.472490 -0.746356 1.110234
C -0.670414 -1.601003 1.235347
C 5.105246 -0.732814 -1.142684
C 3.328292 1.088191 -1.355184
C -3.479114 -1.694581 -0.999966
C -3.528970 -4.216619 -0.604727
C -1.903269 3.274529 -3.027274
H -0.860590 4.053074 1.018780
H 0.500887 3.042042 0.467872
H 5.191693 1.240783 -0.253663
H -4.845792 -2.758562 0.307979
H -2.462608 2.659046 -0.351561
H -1.121472 1.632244 -0.894611
H -0.303629 2.436664 2.772011
H -1.903636 1.976901 2.102946
H 4.676862 -0.267651 1.593425
H 3.387568 0.966334 1.417880
H -3.198598 -1.634866 1.766800
H -3.273202 -3.401917 2.065245
H -0.018859 3.626946 -1.984359
H -1.350397 4.668310 -1.441530
H 3.069546 -1.927112 0.702346
H -1.059330 -3.570148 0.947634
H 4.367684 -1.519204 -1.394317
H 5.585709 -0.420196 -2.087790
H 5.885691 -1.181811 -0.498661
H 2.531543 0.350497 -1.564401
H 3.756118 1.411990 -2.322211
H 2.854343 1.961049 -0.870628
H -3.671486 -0.698809 -0.561729
H -4.102989 -1.806816 -1.906125
H -2.418239 -1.722092 -1.311179
H -3.738425 -5.028095 0.118486
H -4.176862 -4.374436 -1.486294
H -2.480858 -4.318031 -0.946764
H -2.992137 3.305494 -2.832699
H -1.687219 3.975786 -3.854553
H -1.655306 2.253674 -3.374676


