%chk=000040441.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040441

0 1
 N   -2.401500      -2.827100     -0.1972000    
 C   0.7950000     -0.7874000     -0.4354000    
 C    1.763900       1.082300      0.9981000    
 C   0.4575000      0.3391000      0.6019000    
 C    3.031200      -1.094000      0.7613000    
 C    2.866300      0.4748000      -1.194500    
 C    1.739100      -1.793500      0.2948000    
 C    1.585100     -0.2424000      -1.650100    
 C    2.686000      6.7400001E-02   1.711200    
 C    2.517700       1.620600     -0.2321000    
 C    3.768000     -0.5341000     -0.4650000    
 C  -0.4603000      -1.533600     -0.9064000    
 C  -0.7174000       1.271800      0.3238000    
 C   -1.224000      -2.109700      0.2767000    
 C   -1.568900       1.637100       1.361600    
 C  -0.9283000       1.750600     -0.9652000    
 C   -2.642900       2.490000       1.107600    
 C   -2.002400       2.603600      -1.219200    
 C   -3.305300      -1.921500     -0.9085000    
 C   -3.099300      -3.467200      0.9192000    
 C   -2.859700       2.973200     -0.1827000    
 H    1.544500       1.909100       1.684100    
 H   0.1539000     -0.1833000       1.522200    
 H    3.674500      -1.814400       1.279100    
 H    3.397100      0.8718000      -2.067200    
 H    1.991100      -2.632100     -0.3672000    
 H    1.273700      -2.223900       1.187200    
 H    1.016800      0.3882000      -2.326900    
 H    1.879100      -1.091700      -2.284900    
 H    2.196900     -0.3190000       2.613900    
 H    3.605500      0.5663000       2.041800    
 H    3.435500       2.130100      8.7600000E-02
 H    1.911400       2.372100     -0.7501000    
 H    4.701100     -4.8400000E-02 -0.1541000    
 H    4.046300      -1.350800      -1.142400    
 H  -0.1690000      -2.349700      -1.582300    
 H   -1.068100     -0.8537000      -1.506800    
 H   -1.533200      -1.345300      0.9944000    
 H  -0.6046000      -2.834000      0.8120000    
 H   -1.411000       1.271200       2.372400    
 H  -0.2915000       1.545800      -1.803600    
 H   -3.309800       2.778700       1.914700    
 H   -2.166900       2.988200      -2.221700    
 H   -2.921700      -1.648800      -1.896000    
 H   -3.522900      -1.010700     -0.3386000    
 H   -4.261700      -2.419700      -1.110700    
 H   -3.951600      -4.052500      0.5564000    
 H   -3.467400      -2.737700       1.649900    
 H   -2.437600      -4.170800       1.436700    
 H   -3.694700       3.639100     -0.3800000    


%chk=000040441-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040441

0 1
N -2.516880 -2.904809 -0.222575
C 0.811394 -0.805031 -0.357076
C 1.843453 1.147018 0.948370
C 0.501442 0.397535 0.620744
C 3.096603 -1.053511 0.801471
C 2.893493 0.418110 -1.244812
C 1.772647 -1.767902 0.414724
C 1.589524 -0.330085 -1.625684
C 2.779107 0.165919 1.707380
C 2.561422 1.633765 -0.337829
C 3.823175 -0.560036 -0.478125
C -0.479147 -1.542902 -0.817312
C -0.644581 1.351260 0.264508
C -1.347699 -2.152161 0.303772
C -1.632432 1.600159 1.258676
C -0.778551 2.049567 -0.968128
C -2.699009 2.500164 1.044812
C -1.846981 2.947380 -1.192215
C -3.538700 -2.032196 -0.839029
C -3.113355 -3.772982 0.814133
C -2.813985 3.180104 -0.188982
H 1.611476 2.015786 1.595827
H 0.194327 -0.073669 1.578717
H 3.747671 -1.763906 1.349260
H 3.399895 0.768431 -2.166444
H 1.989255 -2.648309 -0.225231
H 1.282511 -2.148095 1.333002
H 0.946836 0.300995 -2.267166
H 1.842478 -1.224536 -2.232145
H 2.296453 -0.171013 2.647219
H 3.718232 0.683150 1.989327
H 3.497153 2.158348 -0.057629
H 1.936442 2.367811 -0.880263
H 4.771033 -0.053839 -0.205084
H 4.086047 -1.421063 -1.125390
H -0.195813 -2.366626 -1.503379
H -1.085522 -0.829915 -1.408914
H -1.677698 -1.350080 1.013451
H -0.739408 -2.869970 0.885705
H -1.555445 1.078785 2.221785
H -0.051498 1.901891 -1.770306
H -3.438627 2.667693 1.836370
H -1.921440 3.467712 -2.154371
H -3.109355 -1.472244 -1.685922
H -3.970414 -1.289692 -0.119024
H -4.364099 -2.654112 -1.229936
H -3.933373 -4.368787 0.373817
H -3.531917 -3.204646 1.685433
H -2.350312 -4.473398 1.198828
H -3.640329 3.878032 -0.364557


