%chk=000046368.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046368

0 1
 Cl  -5.522000      0.4304000      2.5599999E-02
 O    1.144800       1.959300     -0.1753000    
 N   -1.545400     -0.2087000      6.1200000E-02
 C  -0.5527000     -0.1805000      -1.012300    
 C   0.8432000     -0.3973000     -0.4912000    
 C   -2.880600      6.3199997E-02 -0.4699000    
 C   -1.521200      -1.500700      0.7460000    
 C    1.620400      0.6847000     -0.1002000    
 C    1.334000      -1.694000     -0.4112000    
 C   -3.890700      0.1189000      0.6656000    
 C    2.911900      0.4664000      0.3794000    
 C    2.625300      -1.912400      6.8599999E-02
 C    3.414300     -0.8321000      0.4639000    
 C    2.018700       3.003000      0.2496000    
 H  -0.5934000      0.7812000      -1.540300    
 H  -0.7764000     -0.9366000      -1.778900    
 H   -3.174700     -0.6985000      -1.204500    
 H   -2.880000       1.031200     -0.9873000    
 H   -2.219100      -1.548900       1.585600    
 H  -0.5673000      -1.685300       1.247800    
 H   -1.740000      -2.337900      7.2899997E-02
 H   0.7395000      -2.545700     -0.7300000    
 H   -3.998800     -0.8196000       1.209300    
 H   -3.654000      0.9158000       1.377800    
 H    3.581900       1.254700      0.7042000    
 H    3.017900      -2.923100      0.1309000    
 H    4.420100      -1.003400      0.8365000    
 H    2.261000       2.918600       1.314600    
 H    1.478500       3.946900      0.1214000    
 H    2.913600       3.061800     -0.3792000    


%chk=000046368-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046368

0 1
Cl -4.398525 2.239207 -0.084091
O 0.566676 1.689166 0.075298
N -1.599066 -0.813843 0.016933
C -0.593337 -0.610690 -1.057926
C 0.836653 -0.612830 -0.539976
C -2.896274 -0.151768 -0.230070
C -1.659386 -2.190056 0.532390
C 1.400107 0.556400 0.052812
C 1.646023 -1.766535 -0.629845
C -2.816888 1.268946 0.347383
C 2.723101 0.549827 0.556191
C 2.970742 -1.789678 -0.131287
C 3.502022 -0.627437 0.464972
C 1.104500 2.920953 0.658148
H -0.804599 0.362689 -1.533736
H -0.694607 -1.398065 -1.846279
H -3.703582 -0.709153 0.277501
H -3.163430 -0.106779 -1.310124
H -2.350516 -2.240352 1.391791
H -0.659960 -2.497928 0.887290
H -1.996649 -2.936192 -0.231279
H 1.227180 -2.662537 -1.105300
H -2.759565 1.260005 1.444844
H -1.981350 1.842274 -0.077079
H 3.156314 1.445717 1.010610
H 3.575576 -2.698769 -0.211349
H 4.525454 -0.625916 0.856616
H 1.365545 2.779618 1.724590
H 0.293457 3.659152 0.570658
H 1.993183 3.275974 0.100914


