%chk=000045533.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045533

0 1
 Cl  -6.885100       1.616400      -1.159600    
 N   0.7263000      -2.084900      0.7853000    
 C   0.7217000     -0.6143000      0.9819000    
 C    1.099400      -2.441500     -0.5996000    
 C    1.933800      0.1018000      0.4092000    
 C    2.501800      -1.938300     -0.9835000    
 C    2.754300     -0.5167000     -0.5508000    
 C  -0.5772000     -1.9099999E-02  0.4138000    
 C   0.9654000      -3.941000     -0.8880000    
 C    1.528600      -2.753500       1.813200    
 C    2.232000       1.409600      0.8239000    
 C   -1.795900     -0.7031000       1.019200    
 C    3.859500      0.1743000      -1.068500    
 C    3.328700       2.090900      0.2964000    
 C    4.141800       1.473600     -0.6497000    
 C   -3.073400     -0.1199000      0.4716000    
 C    3.611200       3.481500      0.7623000    
 C    5.324200       2.180800      -1.226000    
 C   -3.663900      0.9556000       1.118200    
 C   -3.639000     -0.6689000     -0.6699000    
 C   -4.846600       1.494600      0.6120000    
 C   -4.821800     -0.1300000      -1.176200    
 C   -5.425600      0.9519000     -0.5353000    
 H   0.7083000     -0.4151000       2.063500    
 H   0.3769000      -1.958500      -1.270400    
 H    2.615400      -2.008800      -2.072800    
 H    3.273900      -2.574000     -0.5317000    
 H  -0.6024000     -8.6999997E-02 -0.6815000    
 H  -0.6200000       1.055400      0.6385000    
 H    1.728300      -4.533400     -0.3729000    
 H  -2.1199999E-02  -4.310300     -0.5878000    
 H    1.075400      -4.130900      -1.961600    
 H    1.159100      -2.492500       2.811900    
 H    2.590200      -2.490200       1.769400    
 H    1.437200      -3.841800       1.745100    
 H    1.597500       1.891100       1.565100    
 H   -1.786400     -0.6025000       2.112300    
 H   -1.798600      -1.781400      0.8188000    
 H    4.498900     -0.3163000      -1.799400    
 H    2.881100       3.816600       1.507500    
 H    4.599000       3.538300       1.231100    
 H    3.563800       4.185800     -7.4600004E-02
 H    5.850600       1.560600      -1.960000    
 H    5.013800       3.095500      -1.741400    
 H    6.044000       2.431900     -0.4401000    
 H   -3.219700       1.386400       2.011000    
 H   -3.175000      -1.510000      -1.177400    
 H   -5.305900       2.337800       1.121600    
 H   -5.261300     -0.5629000      -2.071100    


%chk=000045533-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045533

0 1
Cl -7.029378 1.650293 -1.312727
N 0.777383 -2.139386 0.781863
C 0.737036 -0.660524 0.985504
C 1.130209 -2.479723 -0.633133
C 1.965398 0.066786 0.407525
C 2.558913 -1.993306 -0.999802
C 2.806089 -0.555448 -0.552877
C -0.586702 -0.048029 0.437870
C 0.928684 -3.974502 -0.939207
C 1.596063 -2.825513 1.809047
C 2.262687 1.388707 0.820792
C -1.841055 -0.651539 1.123401
C 3.903581 0.176982 -1.070707
C 3.358718 2.119138 0.310473
C 4.199231 1.497522 -0.665011
C -3.135293 -0.104698 0.546276
C 3.635616 3.532873 0.790705
C 5.387474 2.237357 -1.254084
C -3.786310 1.011596 1.132482
C -3.708107 -0.672555 -0.622337
C -4.968124 1.553785 0.577820
C -4.888318 -0.148187 -1.195595
C -5.499674 0.962538 -0.583350
H 0.724830 -0.497256 2.083864
H 0.412398 -1.915505 -1.261019
H 2.718399 -2.086977 -2.091909
H 3.303312 -2.664493 -0.521478
H -0.652787 -0.196225 -0.657208
H -0.561861 1.047469 0.595328
H 1.688479 -4.607107 -0.444369
H -0.070550 -4.303249 -0.602646
H 1.007859 -4.155106 -2.026989
H 1.178875 -2.598453 2.806613
H 2.672458 -2.529976 1.817000
H 1.538919 -3.917920 1.668067
H 1.619457 1.865009 1.573898
H -1.789064 -0.436490 2.209491
H -1.783085 -1.749957 1.009523
H 4.550173 -0.303539 -1.817621
H 2.892815 3.852378 1.541493
H 4.639363 3.620474 1.250295
H 3.605714 4.260493 -0.043596
H 5.928036 1.609068 -1.982361
H 5.074901 3.164167 -1.773422
H 6.108118 2.542301 -0.470521
H -3.368726 1.465376 2.039460
H -3.230376 -1.542258 -1.089652
H -5.464249 2.412521 1.039672
H -5.324427 -0.595311 -2.093841


