%chk=000051482.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051482

0 1
 N   -4.129900      0.1344000      0.6463000    
 C   -2.860300     -0.6284000      0.6345000    
 C   -2.621000      -1.248100     -0.7573000    
 C   -3.790300      -2.117000      -1.201900    
 C   -5.269200     -0.7226000      0.2730000    
 C   -5.089600      -1.331800      -1.115600    
 C   -1.644300      0.2406000      0.9859000    
 C   -4.400700      0.7541000       1.946800    
 C  -0.3784000     -0.5553000      0.9520000    
 C   0.8155000     -4.6599999E-02  0.6029000    
 C    1.995400     -0.9309000      0.6072000    
 C   0.9049000       1.382100      0.2489000    
 C    1.844200     -5.1399998E-02  -2.556800    
 C    1.749300      -1.432600      -1.894300    
 C   0.6611000      0.8776000      -2.252300    
 C    2.460000      -1.554600     -0.5658000    
 C   0.8703000       1.819200      -1.088400    
 C    2.686700      -1.113600       1.817700    
 C    1.068200       2.316600       1.286600    
 C    3.619300      -2.347500     -0.4924000    
 C    1.007600       3.194300      -1.350700    
 C    3.831600      -1.906100       1.869100    
 C    1.198900       3.675000       1.004900    
 C    4.299200      -2.521200      0.7136000    
 C    1.171300       4.113500     -0.3138000    
 H   -2.931400      -1.446400       1.366800    
 H   -1.723700      -1.875800     -0.7739000    
 H   -2.469500     -0.4527000      -1.498700    
 H   -3.852500      -3.006200     -0.5628000    
 H   -3.630500      -2.467200      -2.227700    
 H   -6.191400     -0.1284000      0.2595000    
 H   -5.410000      -1.523100       1.011300    
 H   -5.090000     -0.5358000      -1.870900    
 H   -5.935700      -1.989700      -1.344000    
 H   -1.742800      0.6202000       2.009500    
 H   -1.625600       1.106200      0.3151000    
 H   -4.384500      2.3700001E-02   2.763400    
 H   -5.382700       1.242000       1.946300    
 H   -3.682700       1.549800       2.167200    
 H  -0.4412000      -1.596300       1.265800    
 H    2.804200      0.4340000      -2.343300    
 H    1.822500     -0.2295000      -3.640800    
 H    2.191900      -2.160000      -2.588600    
 H   0.7068000      -1.754800      -1.784000    
 H  -0.2653000      0.3115000      -2.106600    
 H   0.4781000       1.480400      -3.152400    
 H    2.341100     -0.6324000       2.730400    
 H    1.101900       1.991200       2.324200    
 H    4.003300      -2.843300      -1.381300    
 H   0.9844000       3.563800      -2.373500    
 H    4.359100      -2.039400       2.808900    
 H    1.326000       4.388300       1.813800    
 H    5.192200      -3.138400      0.7489000    
 H    1.274600       5.171300     -0.5378000    


%chk=000051482-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051482

0 1
N -4.258208 0.031583 0.749721
C -2.962488 -0.702019 0.616435
C -2.766751 -1.142629 -0.855240
C -3.941106 -2.000359 -1.368984
C -5.406541 -0.807115 0.308359
C -5.268769 -1.242065 -1.161766
C -1.759929 0.159806 1.088364
C -4.508511 0.571019 2.104728
C -0.442370 -0.583243 0.998237
C 0.753267 -0.067316 0.596922
C 2.016716 -0.891813 0.635027
C 0.945143 1.377666 0.209602
C 1.826265 -0.162458 -2.668829
C 1.821839 -1.503583 -1.871943
C 0.699280 0.854743 -2.309327
C 2.548074 -1.520113 -0.531762
C 0.974821 1.805612 -1.151266
C 2.715728 -1.004218 1.864886
C 1.161244 2.327047 1.242103
C 3.772079 -2.229880 -0.421125
C 1.230559 3.174167 -1.426552
C 3.931151 -1.717260 1.958845
C 1.414625 3.685291 0.951826
C 4.468035 -2.327594 0.804064
C 1.456450 4.111023 -0.394299
H -2.987863 -1.631500 1.255120
H -1.813734 -1.699170 -0.938451
H -2.674735 -0.227730 -1.474892
H -3.972727 -2.957892 -0.808190
H -3.796721 -2.256306 -2.436026
H -6.331355 -0.214329 0.440058
H -5.505737 -1.722820 0.952483
H -5.288197 -0.340959 -1.804683
H -6.133692 -1.874683 -1.440765
H -1.912525 0.449698 2.147817
H -1.729042 1.097413 0.502430
H -4.468802 -0.209785 2.907634
H -5.514512 1.026805 2.126589
H -3.783786 1.362698 2.355451
H -0.461741 -1.637312 1.318982
H 2.816378 0.324529 -2.585454
H 1.692034 -0.425232 -3.737312
H 2.288475 -2.275315 -2.513647
H 0.766163 -1.810999 -1.729597
H -0.228986 0.282485 -2.113124
H 0.503356 1.469152 -3.208854
H 2.295162 -0.522782 2.755373
H 1.131047 1.988100 2.284299
H 4.178554 -2.722960 -1.313233
H 1.243756 3.508666 -2.471591
H 4.451300 -1.793128 2.920324
H 1.577715 4.400369 1.765923
H 5.412017 -2.881711 0.857937
H 1.653995 5.161106 -0.637727


