%chk=000060597.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060597

0 1
 N   -1.253900     -0.1255000     -4.6799999E-02
 N   -4.165100     -0.4410000     -0.1481000    
 N    2.894600      0.1903000      3.6100000E-02
 C   -1.987400     -0.1344000      -1.315000    
 C   -2.038900     -0.2040000       1.187500    
 C   -3.410900      0.3858000      -1.096200    
 C   -3.337800     -0.9779000      0.9380000    
 C   0.1330000     -1.9800000E-02 -1.9200001E-02
 C   0.7316000       1.243800      1.2800000E-02
 C   0.9166000      -1.178200     -2.3300000E-02
 C   -5.332900      0.2781000      0.3535000    
 C    2.135200       1.302900      3.9999999E-02
 C    2.313000      -1.024300      5.5000000E-03
 C  -3.1399999E-02   2.424500      1.7700000E-02
 C   0.3419000      -2.460800     -5.4800000E-02
 C    2.737100       2.558000      7.1699999E-02
 C    3.098500      -2.173900      1.5000000E-03
 C   0.5948000       3.667000      4.9800001E-02
 C    1.149400      -3.594100     -5.8100000E-02
 C    1.981900       3.733400      7.6899998E-02
 C    2.530600      -3.450000     -2.9800000E-02
 H   -2.008200      -1.150700      -1.726500    
 H   -1.487300      0.5057000      -2.052000    
 H   -2.260500      0.8057000       1.553100    
 H   -1.468400     -0.7167000       1.971500    
 H   -3.351600       1.424700     -0.7437000    
 H   -3.938800      0.4016000      -2.056700    
 H   -3.078600      -2.008700      0.6637000    
 H   -3.901300      -1.059400       1.875900    
 H   -5.961100     -0.3833000      0.9604000    
 H   -5.957600      0.6275000     -0.4762000    
 H   -5.051900       1.143900      0.9638000    
 H   -1.117200       2.413100     -4.0000002E-03
 H  -0.7334000      -2.612900     -7.7100001E-02
 H    3.822600       2.636600      9.3400002E-02
 H    4.183400      -2.087300      2.3300000E-02
 H   3.5000001E-03   4.577400      5.3300001E-02
 H   0.7032000      -4.583500     -8.2400002E-02
 H    2.480700       4.697900      0.1020000    
 H    3.170000      -4.327900     -3.2000002E-02


%chk=000060597-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060597

0 1
N -1.317418 -0.136237 -0.094285
N -4.265803 -0.295053 -0.198244
N 2.992238 0.196009 0.053762
C -2.107229 0.317286 -1.264463
C -2.092185 -0.668918 1.051064
C -3.494723 0.810654 -0.820836
C -3.419830 -1.276988 0.541664
C 0.093352 -0.023729 -0.050435
C 0.740911 1.256160 -0.133280
C 0.919777 -1.191351 0.082611
C -5.450314 0.188561 0.531407
C 2.200490 1.303627 -0.111497
C 2.366984 -1.019531 0.166357
C 0.017661 2.499739 -0.167716
C 0.389500 -2.528624 0.070192
C 2.857494 2.580247 -0.225330
C 3.197770 -2.184134 0.333347
C 0.686172 3.718173 -0.254638
C 1.224299 -3.634248 0.210347
C 2.121917 3.758355 -0.307124
C 2.642319 -3.459479 0.367019
H -2.242313 -0.515487 -1.989253
H -1.570079 1.122039 -1.795040
H -2.312730 0.141814 1.782412
H -1.504030 -1.433110 1.590379
H -3.359724 1.672656 -0.115038
H -4.051259 1.193479 -1.698517
H -3.186221 -2.140001 -0.115245
H -3.994639 -1.667785 1.401428
H -6.059937 -0.665569 0.874621
H -6.078011 0.792933 -0.149483
H -5.208683 0.826708 1.420148
H -1.074485 2.478065 -0.089089
H -0.684842 -2.667098 -0.090914
H 3.951862 2.575997 -0.228610
H 4.276215 -2.016839 0.414855
H 0.119229 4.655784 -0.266800
H 0.804788 -4.646120 0.183699
H 2.633465 4.723921 -0.387999
H 3.285414 -4.338307 0.488023


