%chk=000046035.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046035

2 1
 N    3.898100      0.6631000      0.1363000    
 N   -3.746600      0.7813000     -0.3171000    
 C    2.676600     -8.6300001E-02  0.6488000    
 C    5.112900     -0.2522000      0.1866000    
 C    2.404200      -1.321400     -0.2043000    
 C    3.656100       1.106200      -1.299400    
 C    4.146700       1.884700       1.009300    
 C    1.159600      -2.129700      0.1856000    
 C   -2.507700      4.6300001E-02 -0.1901000    
 C   -4.566300      0.9302000       1.003300    
 C  -0.1322000      -1.363200      5.3300001E-02
 C    6.323700      0.4982000     -0.3237000    
 C   -3.504100       2.237900     -0.8059000    
 C   -4.719700      9.9500000E-02  -1.320600    
 C   -1.800500      7.3399998E-02   1.012000    
 C   -2.019800     -0.6899000      -1.269700    
 C  -0.6055000     -0.6356000       1.134400    
 C  -0.8249000      -1.399000      -1.147300    
 C   -4.950500     -0.4433000       1.508600    
 H    1.839800      0.6189000      0.6214000    
 H    2.869700     -0.3630000       1.692000    
 H    5.250200     -0.5889000       1.219900    
 H    4.953400      -1.112800     -0.4666000    
 H    2.296300      -1.057900      -1.261300    
 H    3.232700      -2.031900     -0.1319000    
 H    2.634000       1.490800      -1.376900    
 H    4.348000       1.915000      -1.553100    
 H    3.806700      0.2653000      -1.982000    
 H    4.465200       1.548500       2.000400    
 H    4.897200       2.533200      0.5511000    
 H    3.206600       2.440400       1.088300    
 H    1.265600      -2.491000       1.217000    
 H    1.108200      -3.034400     -0.4346000    
 H   -3.976800       1.502500       1.725800    
 H   -5.463900       1.518600      0.7760000    
 H    7.180100     -0.1873000     -0.3235000    
 H    6.224500      0.8510000      -1.353200    
 H    6.616800       1.333600      0.3171000    
 H   -4.474600       2.727000     -0.9316000    
 H   -2.899900       2.754100     -5.3800002E-02
 H   -2.974100       2.190000      -1.762100    
 H   -5.710300      0.5530000      -1.210000    
 H   -4.370100      0.2991000      -2.338600    
 H   -4.762400     -0.9758000      -1.122900    
 H   -2.119400      0.6490000       1.873500    
 H   -2.514900     -0.7252000      -2.234100    
 H  -6.1099999E-02 -0.6056000       2.074000    
 H  -0.4484000      -1.963500      -1.995600    
 H   -5.401700     -0.3386000       2.502300    
 H   -5.712800     -0.9185000      0.8837000    
 H   -4.114400      -1.137500       1.616700    


%chk=000046035-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046035

2 1
N 4.267260 0.640695 -0.211206
N -4.136476 0.836741 -0.162550
C 2.916823 0.177439 0.410979
C 5.413478 -0.296642 0.279891
C 2.380701 -1.180086 -0.078672
C 4.181356 0.638819 -1.734878
C 4.526209 2.069399 0.270433
C 1.141074 -1.634053 0.754979
C -2.742335 0.243527 0.028281
C -5.140755 0.225851 0.879937
C -0.172440 -0.905669 0.479459
C 6.814983 0.054423 -0.229572
C -4.077948 2.357252 0.061187
C -4.692511 0.603731 -1.567261
C -2.123408 0.370011 1.292483
C -2.078458 -0.429142 -1.019539
C -0.851874 -0.202796 1.507886
C -0.804861 -0.994549 -0.786674
C -5.320009 -1.288538 0.768763
H 2.192973 0.983137 0.193407
H 3.089376 0.151905 1.502225
H 5.373138 -0.257489 1.382833
H 5.135816 -1.312846 -0.043766
H 2.106986 -1.134052 -1.148329
H 3.149133 -1.966081 0.030898
H 3.273501 1.181578 -2.041087
H 5.065493 1.144050 -2.148103
H 4.145415 -0.396519 -2.102268
H 4.579460 2.076296 1.369961
H 5.473690 2.433781 -0.149468
H 3.703105 2.716417 -0.069925
H 1.383209 -1.573294 1.832538
H 0.989164 -2.709038 0.540337
H -4.753440 0.506646 1.872348
H -6.091301 0.763167 0.716374
H 7.510779 -0.700148 0.178498
H 6.904795 0.001001 -1.327303
H 7.178067 1.035143 0.118511
H -5.081034 2.778838 -0.106552
H -3.757494 2.566023 1.091111
H -3.358346 2.792281 -0.648051
H -5.709824 1.021646 -1.602196
H -4.059813 1.120752 -2.303522
H -4.733816 -0.471405 -1.783838
H -2.609571 0.885945 2.126707
H -2.526388 -0.550300 -2.008137
H -0.402921 -0.124187 2.504299
H -0.324884 -1.547933 -1.602156
H -5.963479 -1.612994 1.605439
H -5.827436 -1.598409 -0.159327
H -4.364865 -1.832023 0.862118


