%chk=000054971.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054971

0 1
 N    1.011900      0.8121000      3.2900002E-02
 N   0.4543000      -1.520400     -4.5800000E-02
 N   -1.287500      0.1300000     -4.4000000E-02
 N   -4.056600      -3.039400     -0.1748000    
 C  -0.3075000       1.041900      5.9000002E-03
 C    1.319500     -0.4947000      4.1999999E-03
 C  -0.7199000       2.428600      3.3900000E-02
 C    2.719100     -0.8300000      2.9800000E-02
 C  -0.8310000      -1.132600     -6.7699999E-02
 C   9.9200003E-02   3.410900     -0.5227000    
 C   -1.936500       2.783100      0.6170000    
 C    3.662400      3.9600000E-02 -0.5269000    
 C    3.146600      -2.027700      0.6121000    
 C   -1.829200      -2.186000     -0.1223000    
 C   -3.168800      -2.007300     -0.1299000    
 C  -0.2981000       4.747700     -0.4961000    
 C   -2.333900       4.119900      0.6434000    
 C    5.018700     -0.2850000     -0.5020000    
 C    4.503100      -2.352200      0.6372000    
 C   -1.514700       5.102200      8.6800002E-02
 C    5.439100      -1.480800      7.9999998E-02
 C   -3.610100      -4.427300     -0.2182000    
 C   -5.480100      -2.832600      6.7100003E-02
 H    1.048400       3.165800     -0.9931000    
 H   -2.592800       2.042300       1.067400    
 H    3.366700      0.9751000     -0.9964000    
 H    2.443500      -2.724000       1.063300    
 H   -1.403300      -3.185300     -0.1582000    
 H   -3.623400      -1.024200     -7.9099998E-02
 H   0.3385000       5.512600     -0.9312000    
 H   -3.280100       4.396600       1.099000    
 H    5.747600      0.3923000     -0.9374000    
 H    4.831100      -3.282200       1.092200    
 H   -1.824100       6.143000      0.1075000    
 H    6.495100      -1.733500      9.9500000E-02
 H   -2.963100      -4.608300      -1.083800    
 H   -4.457300      -5.116200     -0.3123000    
 H   -3.076600      -4.695500      0.7005000    
 H   -6.083000      -3.513100     -0.5438000    
 H   -5.789400      -1.812400     -0.1863000    
 H   -5.712700      -3.011400       1.122000    


%chk=000054971-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054971

0 1
N 1.022015 0.787555 -0.040412
N 0.506653 -1.582780 0.013529
N -1.290614 0.061836 0.011579
N -4.131038 -3.070499 0.133573
C -0.332426 1.032546 -0.023734
C 1.388157 -0.537045 -0.021256
C -0.773559 2.454097 -0.045206
C 2.841124 -0.854536 -0.039720
C -0.835752 -1.247330 0.030302
C 0.186920 3.499637 -0.079918
C -2.155867 2.779837 -0.031133
C 3.804414 0.188625 -0.074836
C 3.277355 -2.206264 -0.022338
C -1.783187 -2.337333 0.068906
C -3.150882 -2.112066 0.085673
C -0.228795 4.847031 -0.100097
C -2.569295 4.127697 -0.051493
C 5.181249 -0.116330 -0.092159
C 4.654562 -2.507963 -0.039869
C -1.607655 5.166328 -0.085996
C 5.611344 -1.464859 -0.074790
C -3.774784 -4.496874 0.173379
C -5.557203 -2.713458 0.108911
H 1.246651 3.228918 -0.090298
H -2.880991 1.961116 -0.004315
H 3.449075 1.223141 -0.087905
H 2.519023 -2.994306 0.004568
H -1.346582 -3.338855 0.081208
H -3.492083 -1.071071 0.061468
H 0.518154 5.648316 -0.126838
H -3.637613 4.372002 -0.040555
H 5.919273 0.693250 -0.119177
H 4.984779 -3.552809 -0.026433
H -1.930062 6.213853 -0.101747
H 6.681767 -1.700624 -0.088331
H -3.242737 -4.801326 -0.749229
H -4.688114 -5.104990 0.269882
H -3.115776 -4.711192 1.036295
H -6.057849 -3.122728 -0.790447
H -5.664546 -1.617035 0.094426
H -6.080007 -3.101912 1.004234


