%chk=000046634.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046634

0 1
 Cl  -6.416900     -0.9229000      -1.174700    
 O    2.276700     -0.4573000      0.2698000    
 O   -1.122000      0.3274000       1.037600    
 O    1.292500       1.500900      0.9949000    
 N    5.921600     -0.2222000     -0.2248000    
 C    4.593900     -0.8342000     -0.1881000    
 C    3.550400      0.1740000      0.2656000    
 C    5.927300      0.9330000      -1.121700    
 C    6.924100      -1.200500     -0.6451000    
 C   -2.361700      4.8200000E-02  0.5153000    
 C   -3.047900       1.009200     -0.2162000    
 C  -4.5699999E-02 -0.4836000      0.6103000    
 C    1.222900      0.3265000      0.6588000    
 C   -2.912000      -1.208900      0.7316000    
 C   -4.305200      0.7085000     -0.7400000    
 C   -2.462600       2.362400     -0.4529000    
 C   -4.169400      -1.509600      0.2077000    
 C   -4.866000     -0.5510000     -0.5281000    
 H    4.586400      -1.680600      0.5109000    
 H    4.308400      -1.246000      -1.165800    
 H    3.478800       1.025700     -0.4177000    
 H    3.782100      0.5367000       1.274500    
 H    5.401600       1.789500     -0.6885000    
 H    5.503000      0.7039000      -2.106100    
 H    6.953500       1.287300      -1.279500    
 H    7.927600     -0.7613000     -0.6168000    
 H    6.738900      -1.573700      -1.659000    
 H    6.938700      -2.055600      3.9999999E-02
 H   5.4699998E-02  -1.335900       1.289900    
 H  -0.1914000     -0.8255000     -0.4214000    
 H   -2.383800      -1.961600       1.309700    
 H   -4.850000       1.454400      -1.314200    
 H   -3.134300       3.004200      -1.032900    
 H   -2.269000       2.865100      0.5005000    
 H   -1.524000       2.277400      -1.010500    
 H   -4.594700      -2.494600      0.3823000    


%chk=000046634-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046634

0 1
Cl -6.812144 -1.294863 -0.085329
O 2.346160 -0.288617 0.069588
O -1.130026 0.705817 0.024516
O 1.384185 1.834546 0.271908
N 6.085800 -0.316883 -0.197427
C 4.686094 -0.785808 -0.304068
C 3.714426 0.307909 0.155874
C 6.472266 0.622860 -1.271438
C 7.051143 -1.427404 -0.065517
C -2.426662 0.155144 0.001219
C -3.474227 1.122693 -0.050201
C -0.013340 -0.219263 0.098703
C 1.273192 0.601377 0.156100
C -2.703966 -1.231456 0.024958
C -4.806160 0.654730 -0.075805
C -3.143720 2.599415 -0.075612
C -4.044979 -1.682092 -0.001103
C -5.074199 -0.729862 -0.050923
H 4.558089 -1.662309 0.356564
H 4.415238 -1.111695 -1.339480
H 3.741726 1.212766 -0.475475
H 3.912876 0.598079 1.201903
H 5.800980 1.498370 -1.284074
H 6.451666 0.155698 -2.289000
H 7.495995 0.992209 -1.084845
H 8.061954 -1.017202 0.108506
H 7.099723 -2.086793 -0.968843
H 6.784943 -2.054073 0.803847
H -0.070268 -0.852427 1.008586
H 0.024417 -0.889060 -0.783860
H -1.901222 -1.973469 0.061017
H -5.630638 1.373126 -0.114572
H -4.060535 3.211594 -0.103192
H -2.548614 2.887150 0.809875
H -2.521671 2.850610 -0.953924
H -4.272002 -2.751516 0.016926


