%chk=000050357.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050357

0 1
 N  -0.9150000      2.7700000E-02  -1.500800    
 N    4.640000      7.6899998E-02 -0.7159000    
 N   -4.141000     -4.6500001E-02   1.174300    
 C   -2.009000      2.4000001E-03 -0.5937000    
 C   -2.528100      -1.224300     -0.1674000    
 C   -2.557000       1.204700     -0.1349000    
 C    6.763100      1.9300001E-02  0.4727000    
 C    5.241300      6.5700002E-02  0.5818000    
 C   -3.609500      -1.201600      0.7295000    
 C   -3.637200       1.132300      0.7607000    
 C   0.4722000      4.1000001E-02  -1.304900    
 C    7.450900     -4.1299999E-02   1.839000    
 C    3.243600      6.5300003E-02 -0.9132000    
 C   -1.996900      -2.447600     -0.6120000    
 C   -2.055100       2.451700     -0.5466000    
 C    1.340600      6.5200001E-02  -2.402000    
 C    1.003100      2.8899999E-02 -9.9999998E-03
 C    2.721800      7.7399999E-02  -2.206800    
 C    2.384300      4.1200001E-02  0.1852000    
 C   -4.130600      -2.419700       1.157400    
 C   -4.187100       2.325800       1.220900    
 C   -2.536100      -3.651600     -0.1690000    
 C   -2.622800       3.630300     -7.1699999E-02
 C    8.960900     -0.1528000       1.695900    
 C   -3.605200      -3.637200      0.7177000    
 C   -3.691000       3.566800      0.8138000    
 H    7.118600      0.9001000     -7.7500001E-02
 H    7.056900     -0.8564000     -0.1206000    
 H    4.954100      0.9625000       1.143900    
 H    4.909800     -0.8138000       1.147200    
 H   -1.211500      4.0700000E-02  -2.472300    
 H    7.079900     -0.9041000       2.404200    
 H    7.205500      0.8567000       2.417700    
 H    5.226500      0.1053000      -1.542700    
 H   -1.164200      -2.495000      -1.309000    
 H   -1.224100       2.537500      -1.241800    
 H   0.9488000      7.4600004E-02  -3.416100    
 H   0.3573000      1.0300000E-02  0.8641000    
 H    3.380800      9.6000001E-02  -3.071100    
 H    2.747100      3.3199999E-02   1.208500    
 H   -4.968500      -2.434900       1.852200    
 H   -5.024900       2.302500       1.915600    
 H   -2.124900      -4.595000     -0.5146000    
 H   -2.234400       4.592100     -0.3919000    
 H    9.368400      0.7092000       1.158200    
 H    9.433000     -0.1921000       2.682500    
 H    9.237700      -1.060800       1.150600    
 H   -4.033800      -4.571100       1.069400    
 H   -4.141600       4.480500       1.190300    


%chk=000050357-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050357

0 1
N -0.874126 0.875893 -1.330421
N 4.706807 -0.033970 -0.666630
N -4.317579 -0.190806 1.028418
C -1.960394 0.502488 -0.525845
C -2.099363 -0.810915 0.047535
C -3.023178 1.455052 -0.324991
C 6.881279 -0.525978 0.410965
C 5.371855 -0.289883 0.613577
C -3.291405 -1.084220 0.846232
C -4.195084 1.039227 0.435608
C 0.517953 0.609934 -1.133396
C 7.617947 -0.821939 1.736686
C 3.336202 0.181978 -0.806788
C -1.172288 -1.887012 -0.180219
C -2.974095 2.805389 -0.817979
C 1.388184 0.610909 -2.256082
C 1.075167 0.404179 0.153929
C 2.770511 0.413070 -2.097445
C 2.455069 0.180366 0.316851
C -3.440734 -2.382619 1.451191
C -5.282683 1.968045 0.599763
C -1.365207 -3.139635 0.398950
C -4.042671 3.682374 -0.633307
C 9.129852 -1.059105 1.536349
C -2.500597 -3.386341 1.241616
C -5.217471 3.253552 0.070379
H 7.332615 0.368098 -0.067260
H 7.028457 -1.375602 -0.287462
H 5.223639 0.567029 1.307657
H 4.924069 -1.181108 1.105624
H -1.078164 1.592509 -2.029807
H 7.163387 -1.712631 2.215526
H 7.464316 0.023217 2.437622
H 5.287639 -0.001276 -1.503582
H -0.303851 -1.723013 -0.822449
H -2.071050 3.178947 -1.316162
H 0.974542 0.756899 -3.261399
H 0.423931 0.418596 1.033846
H 3.422200 0.421657 -2.980308
H 2.849171 0.019448 1.324665
H -4.335201 -2.540139 2.061775
H -6.151901 1.614084 1.162677
H -0.648111 -3.944842 0.204745
H -3.979649 4.709403 -1.009391
H 9.616640 -0.171219 1.090904
H 9.633452 -1.273644 2.496279
H 9.311076 -1.916348 0.860965
H -2.631552 -4.371743 1.702790
H -6.052907 3.949646 0.204600


