%chk=000016549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016549

0 1
 N  -9.3099996E-02 -0.6010000      3.0000001E-04
 N  -0.6360000      -3.181700     -3.8000001E-03
 C    1.303600     -0.2518000     -3.0000001E-04
 C   -1.193700      0.2873000      1.9000000E-03
 C    1.954600     -8.6700000E-02  -1.208500    
 C   -2.495100     -0.2146000      1.2000001E-03
 C    1.957000     -9.2000000E-02   1.207300    
 C  -0.9778000       1.665300      2.7999999E-03
 C    1.255300     -0.2588000      -2.517800    
 C   -2.757500      -1.685700     -7.9999998E-04
 C    1.260100     -0.2689000       2.517300    
 C   0.4046000       2.232500      3.4000000E-03
 C    3.308200      0.2505000      -1.209300    
 C   -3.580600      0.6614000      1.5000000E-03
 C    3.310500      0.2453000       1.206700    
 C   -2.063200       2.541400      3.1999999E-03
 C    3.986100      0.4164000     -1.6000000E-03
 C   -3.364600       2.039300      2.4999999E-03
 C    1.326100      -1.695300      -3.026300    
 C   -4.248800      -2.006600     -2.4000001E-03
 C    1.332000      -1.707200       3.020400    
 C   0.4032000       3.758000      4.4000000E-03
 C  -0.3909000      -2.047000     -2.0000001E-03
 H   0.2099000      6.2600002E-02  -2.469300    
 H    1.712500      0.4029000      -3.265400    
 H   -2.440700      -2.125500     -0.9520000    
 H   -2.441200      -2.128400      0.9491000    
 H    1.718600      0.3902000       3.266400    
 H   0.2146000      5.2499998E-02   2.471700    
 H   0.9273000       2.002100      0.9260000    
 H   0.9271000       2.004400     -0.9198000    
 H    3.848400      0.3850000      -2.142600    
 H   -4.618600      0.3509000      1.0000000E-03
 H    3.852600      0.3761000       2.139600    
 H   -1.978900       3.621600      4.0000002E-03
 H    5.040100      0.6781000     -2.0999999E-03
 H   -4.210000       2.721600      2.9000000E-03
 H   0.8629000      -2.407600      -2.342300    
 H   0.8136000      -1.775300      -3.990400    
 H    2.365900      -2.007500      -3.174000    
 H   -4.758900      -1.633400     -0.8979000    
 H   -4.381000      -3.095700     -4.1000000E-03
 H   -4.760100      -1.636200      0.8936000    
 H   0.8677000      -2.417200       2.334600    
 H   0.8212000      -1.790800       3.985200    
 H    2.372000      -2.019800       3.165100    
 H  -6.6900000E-02   4.178700     -0.8918000    
 H    1.440000       4.116700      4.8000002E-03
 H  -6.7199998E-02   4.177500      0.9010000    


%chk=000016549-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016549

0 1
N -0.203410 -0.424062 0.566245
N -0.770724 -2.271930 2.238920
C 1.192001 -0.308038 0.123551
C -1.278320 0.474432 0.128110
C 1.495239 -0.349247 -1.272324
C -2.489365 -0.098889 -0.380149
C 2.225701 -0.167306 1.101756
C -1.108783 1.890520 0.248950
C 0.471355 -0.654268 -2.358947
C -2.670179 -1.610909 -0.510013
C 1.988103 -0.127866 2.609762
C 0.151575 2.502321 0.859135
C 2.846058 -0.185360 -1.669364
C -3.525646 0.782580 -0.774417
C 3.563103 -0.044501 0.649622
C -2.168833 2.721342 -0.188892
C 3.879020 -0.036183 -0.722792
C -3.368345 2.179279 -0.691776
C 0.467200 -2.165319 -2.722371
C -3.802202 -2.071471 -1.452385
C 2.478953 -1.411179 3.332560
C 0.087884 4.012859 1.162892
C -0.504053 -1.402126 1.453052
H -0.542230 -0.343952 -2.063652
H 0.725762 -0.073225 -3.265938
H -1.716327 -2.057200 -0.849575
H -2.844878 -2.047959 0.493278
H 2.535054 0.742794 3.023444
H 0.922762 0.026994 2.848725
H 0.383003 1.960638 1.795431
H 1.015030 2.311628 0.192564
H 3.081279 -0.197567 -2.740704
H -4.458736 0.367842 -1.166018
H 4.359457 0.071899 1.394619
H -2.063142 3.807181 -0.111762
H 4.917120 0.084223 -1.051030
H -4.178547 2.843545 -1.012034
H 0.238429 -2.787629 -1.838220
H -0.289575 -2.378080 -3.499715
H 1.454218 -2.482590 -3.104697
H -3.690122 -1.645962 -2.466680
H -3.786405 -3.172562 -1.540533
H -4.800496 -1.789575 -1.071280
H 1.907085 -2.293559 2.999768
H 2.344020 -1.312073 4.424831
H 3.550471 -1.595476 3.134038
H -0.024724 4.616640 0.243848
H 1.025271 4.332813 1.652455
H -0.749215 4.260136 1.841112


