%chk=000040415.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040415

0 1
 N   -2.980100      0.1922000      0.3521000    
 C   0.7849000     -0.2965000      0.2725000    
 C    2.474400      0.1507000      -1.563400    
 C    2.689100       1.333000      0.6518000    
 C    3.166700      -1.136100      0.4899000    
 C   0.9986000     -0.1552000      -1.253200    
 C    1.212700       1.024000      0.9558000    
 C    1.689100      -1.438300      0.7946000    
 C    2.876200       1.462500     -0.8690000    
 C    3.351500     -0.9943000      -1.030100    
 C    3.565100      0.1822000       1.174000    
 C  -0.6842000     -0.6007000      0.5774000    
 C   -1.592400      0.4946000      3.4499999E-02
 C   -3.899100       1.228800     -0.1171000    
 C   -3.442300      -1.041100     -0.2839000    
 C   -5.255300      0.5430000     -3.9900001E-02
 C   -4.954800     -0.9490000     -0.1459000    
 H    2.612800      0.2478000      -2.646000    
 H    2.979700       2.269400       1.141300    
 H    3.795400      -1.951700      0.8643000    
 H   0.4108000      0.6637000      -1.679200    
 H   0.6928000      -1.074000      -1.769500    
 H    1.063400      0.9581000       2.041100    
 H   0.6255000       1.878200      0.6039000    
 H    1.405600      -2.391000      0.3290000    
 H    1.554600      -1.564300       1.876700    
 H    2.269200       2.291700      -1.252700    
 H    3.921900       1.701900      -1.098100    
 H    3.085100      -1.934000      -1.529300    
 H    4.405400     -0.7979000      -1.262400    
 H    3.452600      8.9199997E-02   2.261200    
 H    4.622800      0.3994000      0.9809000    
 H  -0.8286000     -0.7044000       1.661000    
 H  -0.9280000      -1.572100      0.1313000    
 H   -1.494800      0.6128000      -1.048300    
 H   -1.360100       1.456400      0.4994000    
 H   -3.865500       2.125500      0.5096000    
 H   -3.691400       1.519600      -1.154900    
 H   -3.168900      -1.084100      -1.346000    
 H   -3.077600      -1.945300      0.2127000    
 H   -5.921600      0.8802000     -0.8403000    
 H   -5.745400      0.7553000      0.9175000    
 H   -5.296200      -1.460700      0.7617000    
 H   -5.464500      -1.405200      -1.000600    


%chk=000040415-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040415

0 1
N -3.062260 0.172262 0.227438
C 0.831867 -0.240505 0.134832
C 2.707038 0.227118 -1.544651
C 2.767412 1.323970 0.743332
C 3.196950 -1.163165 0.517824
C 1.187865 -0.045832 -1.371061
C 1.248732 1.045223 0.913297
C 1.678540 -1.430310 0.685651
C 3.090565 1.514418 -0.763961
C 3.520110 -0.973317 -0.988909
C 3.581655 0.123797 1.297029
C -0.671593 -0.575867 0.342896
C -1.683754 0.432629 -0.240840
C -4.045905 1.199295 -0.203384
C -3.654732 -1.118821 -0.209906
C -5.418132 0.573430 0.154557
C -5.158919 -0.972639 0.142524
H 2.934832 0.363825 -2.620902
H 3.035639 2.244486 1.299648
H 3.769506 -2.024618 0.916225
H 0.611322 0.802159 -1.791530
H 0.895128 -0.952049 -1.941556
H 1.003231 0.920154 1.988328
H 0.672230 1.919489 0.548896
H 1.398055 -2.360817 0.149267
H 1.436711 -1.588974 1.757202
H 2.531307 2.383448 -1.166431
H 4.170209 1.730105 -0.895906
H 3.267612 -1.895697 -1.550492
H 4.605601 -0.793204 -1.126463
H 3.372204 -0.010394 2.377771
H 4.667955 0.321208 1.195361
H -0.872532 -0.658664 1.430990
H -0.864442 -1.577598 -0.094631
H -1.634413 0.417555 -1.361982
H -1.415844 1.457303 0.081206
H -3.855992 2.158428 0.311491
H -3.986051 1.386695 -1.308342
H -3.526124 -1.270595 -1.314973
H -3.176320 -1.970077 0.304228
H -6.198781 0.875087 -0.565680
H -5.741877 0.899515 1.157645
H -5.364405 -1.403087 1.137492
H -5.795100 -1.501071 -0.589129


