%chk=000040536.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040536

0 1
 Cl  -5.562000      -1.005500     -0.4083000    
 N    2.802100      -2.094000      1.2900000E-02
 C    2.327800      0.7417000     -0.6510000    
 C   0.3994000       2.106700      0.4460000    
 C    1.234900     -0.2288000     -0.1300000    
 C   0.1550000      0.5831000      0.6488000    
 C    2.875200       1.620000      0.4899000    
 C    1.671400       1.670400      -1.690900    
 C    1.746100       2.449800       1.117100    
 C   0.5278000       2.464400      -1.046500    
 C    1.815500      -1.351800      0.7349000    
 C   -1.288400      0.1830000      0.3818000    
 C   -2.214400      0.1977000       1.421300    
 C   -1.675600     -0.1968000     -0.9005000    
 C    2.237100      -2.711900      -1.200300    
 C    3.414000      -3.141800      0.8498000    
 C   -3.537400     -0.1703000       1.176700    
 C   -2.998700     -0.5647000      -1.145200    
 C   -3.929800     -0.5513000     -0.1065000    
 H    3.152500      0.2069000      -1.133600    
 H  -0.4004000       2.699100      0.9057000    
 H   0.7786000     -0.6895000      -1.005300    
 H   0.3149000      0.3840000       1.719700    
 H    3.648500       2.294700      0.1020000    
 H    3.364000       1.009600       1.256700    
 H    1.290000       1.087200      -2.537700    
 H    2.416200       2.362700      -2.102200    
 H    1.696700       2.255400       2.195200    
 H    1.963800       3.519000       1.004700    
 H   0.7223000       3.538500      -1.157400    
 H  -0.4103000       2.273000      -1.577700    
 H   0.9982000      -2.003700       1.073600    
 H    2.257200     -0.9241000       1.643100    
 H   -1.923000      0.4952000       2.424900    
 H   -1.000900     -0.1811000      -1.749100    
 H    2.039900      -1.975600      -1.985000    
 H    1.321700      -3.277100     -0.9906000    
 H    2.961400      -3.404900      -1.645900    
 H    4.217000      -3.650200      0.3047000    
 H    2.680100      -3.889500       1.171200    
 H    3.871700      -2.698600       1.741200    
 H   -4.252100     -0.1546000       1.995600    
 H   -3.292800     -0.8502000      -2.152000    


%chk=000040536-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040536

0 1
Cl -5.755437 -0.915877 -0.372984
N 2.784693 -2.217615 -0.071072
C 2.376684 0.802450 -0.624198
C 0.394881 2.135030 0.423841
C 1.263156 -0.187610 -0.177427
C 0.164686 0.592199 0.629659
C 2.887922 1.642312 0.576773
C 1.774008 1.763372 -1.682476
C 1.717945 2.519004 1.139475
C 0.518737 2.485693 -1.081124
C 1.788974 -1.386143 0.646962
C -1.277545 0.174136 0.346742
C -2.206140 0.121137 1.420360
C -1.763381 -0.116237 -0.956278
C 2.205415 -2.991135 -1.187826
C 3.549641 -3.085253 0.847859
C -3.565138 -0.205750 1.218266
C -3.118622 -0.445785 -1.184452
C -4.001610 -0.484730 -0.090195
H 3.210631 0.218785 -1.056365
H -0.452847 2.688769 0.872711
H 0.804506 -0.589707 -1.102616
H 0.340918 0.407624 1.711470
H 3.727249 2.280925 0.242059
H 3.299251 0.978251 1.360374
H 1.500819 1.194607 -2.592853
H 2.539603 2.502040 -1.988236
H 1.608565 2.377904 2.232416
H 1.918839 3.595144 0.975221
H 0.609553 3.583281 -1.188276
H -0.405988 2.196377 -1.613501
H 0.911349 -1.998305 0.987916
H 2.279455 -1.000892 1.562515
H -1.860323 0.335669 2.439064
H -1.084606 -0.095166 -1.815869
H 1.748872 -2.315577 -1.930955
H 1.421238 -3.719495 -0.856134
H 3.005765 -3.557261 -1.697236
H 4.335964 -3.621190 0.285822
H 2.917998 -3.851150 1.367063
H 4.042377 -2.468639 1.620792
H -4.264847 -0.247353 2.058154
H -3.478011 -0.667741 -2.193638


