%chk=000047977.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047977

0 1
 N   -2.848400       1.004300      2.3000001E-03
 N    2.843800      -1.006500      2.3000001E-03
 N   -2.447400      -1.181000      6.4599998E-02
 N    2.442000       1.178500      6.4599998E-02
 N   -8.875900     -0.4059000     -5.0000001E-02
 N    8.870700      0.4060000     -5.0000001E-02
 N   -8.041200       1.776300     -9.7999997E-02
 N    8.036900      -1.776600     -9.7999997E-02
 C   -4.082200      0.4055000     -1.9999999E-04
 C    4.077200     -0.4073000     -1.9999999E-04
 C   -3.805000     -0.9581000      3.9099999E-02
 C    3.799700      0.9563000      3.9000001E-02
 C   -1.904800      1.5799999E-02  4.1600000E-02
 C    1.965200      7.9999998E-04  4.1200001E-02
 C   -5.377100      0.9240000     -3.2400001E-02
 C    5.372500     -0.9253000     -3.2400001E-02
 C   -6.426000     -1.5000000E-03 -2.3600001E-02
 C    6.421000      6.0000003E-04 -2.3700001E-02
 C  -0.5565000      0.4121000      5.0900001E-02
 C   0.5516000     -0.4153000      5.0900001E-02
 C   -4.871000      -1.873700      4.7300000E-02
 C    4.865300       1.872100      4.7200002E-02
 C   -6.179700      -1.375800      1.5500000E-02
 C    6.174100       1.374900      1.5500000E-02
 C   -7.799300      0.4784000     -5.6699999E-02
 C    7.794500     -0.4788000     -5.6699999E-02
 H   -2.678800       2.001700     -2.1199999E-02
 H    2.664400      -2.003000     -2.0900000E-02
 H   -5.534200       1.996500     -6.2399998E-02
 H    5.530000      -1.997700     -6.2300000E-02
 H  -0.3541000       1.483200      4.8200000E-02
 H   0.3668000      -1.489600      4.8300002E-02
 H   -4.688900      -2.943200      7.7600002E-02
 H    4.682800       2.941600      7.7500001E-02
 H   -6.973400      -2.115400      2.2900000E-02
 H    6.967600       2.114700      2.2900000E-02
 H   -9.826200     -5.0700001E-02 -7.5000003E-02
 H   -8.783000      -1.413200     -1.9600000E-02
 H    9.821300      5.1300000E-02 -7.5099997E-02
 H    8.777500       1.413300     -1.9700000E-02
 H   -9.057800       1.914200     -0.1178000    
 H    9.053500      -1.914000     -0.1178000    


%chk=000047977-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047977

0 1
N -2.911498 1.119065 -0.007494
N 2.909946 -1.119419 -0.007420
N -2.432112 -1.119571 -0.004722
N 2.430745 1.119594 -0.006958
N -8.945049 -0.453026 -0.004421
N 8.943584 0.452002 -0.004271
N -8.106731 1.807041 -0.014305
N 8.104861 -1.807927 -0.012618
C -4.150503 0.469642 -0.007154
C 4.148863 -0.470026 -0.007414
C -3.821899 -0.935567 -0.005247
C 3.820470 0.935241 -0.006969
C -1.904708 0.133156 -0.005845
C 1.902997 -0.133027 -0.006872
C -5.470757 0.941961 -0.008110
C 5.469086 -0.942473 -0.007591
C -6.510036 -0.019234 -0.007022
C 6.508482 0.018642 -0.007273
C -0.498326 0.473057 -0.005691
C 0.496635 -0.472831 -0.006786
C -4.868532 -1.887218 -0.004398
C 4.867176 1.886766 -0.006944
C -6.194478 -1.418632 -0.005421
C 6.193111 1.418019 -0.007207
C -7.921557 0.498752 -0.007864
C 7.919940 -0.499610 -0.007283
H -2.755996 2.125740 -0.009045
H 2.754425 -2.126084 -0.007719
H -5.751962 1.999054 -0.009542
H 5.750327 -1.999560 -0.007893
H -0.213105 1.532435 -0.004749
H 0.211331 -1.532184 -0.007906
H -4.640260 -2.956728 -0.003261
H 4.639139 2.956317 -0.006986
H -6.990328 -2.171779 -0.005517
H 6.988990 2.171136 -0.007982
H -9.916188 -0.150214 -0.006448
H -8.762305 -1.452241 0.000649
H 9.914684 0.149069 -0.005797
H 8.760970 1.451246 0.000090
H -9.108794 2.085385 -0.015576
H 9.106860 -2.086473 -0.013321


