%chk=000057302.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057302

2 1
 Cl   4.836000      -3.698000      0.3954000    
 Cl  -6.068800       3.243300      0.9515000    
 O    5.435000      0.7240000       1.006900    
 O   -4.227200     -0.6921000      0.8771000    
 N    4.427500      0.3507000      1.8800000E-02
 N   -4.320100     -0.1586000     -0.4784000    
 C    3.075200      0.4730000      0.6765000    
 C   -2.963000     -0.3380000      -1.120500    
 C    4.580100       1.306500      -1.156000    
 C   -5.400600     -0.9542000      -1.197100    
 C    1.995100      0.1218000     -0.3358000    
 C   -1.882600      1.3000000E-02 -0.1084000    
 C    4.703500      -1.082100     -0.3775000    
 C   -4.671600       1.304700     -0.3701000    
 C    5.997200       1.788400      -1.008100    
 C   -5.457100      -2.228900     -0.4011000    
 C   0.6008000      0.2763000      0.2731000    
 C  -0.4897000     -0.1094000     -0.7278000    
 C    6.141600       1.857900      0.4903000    
 C   -5.210500      -1.726700      0.9981000    
 C    4.550000      -1.994000      0.8253000    
 C   -5.650800       1.522300      0.7681000    
 H    3.037100     -0.1160000       1.595800    
 H    2.972600       1.521900      0.9844000    
 H   -2.868600      -1.387400      -1.422300    
 H   -2.927900      0.2940000      -2.014900    
 H    4.382600      0.7859000      -2.097700    
 H    3.881000       2.140100      -1.025100    
 H   -6.346700     -0.4068000      -1.137700    
 H   -5.122300      -1.092400      -2.246300    
 H    2.053300      0.7537000      -1.228500    
 H    2.087100     -0.9168000     -0.6681000    
 H   -1.914700     -0.6676000      0.7509000    
 H   -1.994500       1.027400      0.2849000    
 H    4.045300      -1.360800      -1.206200    
 H    5.733900      -1.118800     -0.7519000    
 H   -3.765300       1.888400     -0.1922000    
 H   -5.084200       1.618300      -1.336500    
 H    6.184900       2.745400      -1.501600    
 H    6.690600       1.047200      -1.421900    
 H   -4.648600      -2.901400     -0.7101000    
 H   -6.404600      -2.763800     -0.5039000    
 H   0.5193000     -0.3559000       1.165800    
 H   0.4538000       1.314000      0.5968000    
 H  -0.3305000      -1.139300      -1.070200    
 H  -0.4212000      0.5392000      -1.609800    
 H    5.685100       2.764400      0.9022000    
 H    7.187200       1.811400      0.8066000    
 H   -4.828300      -2.514100       1.653600    
 H   -6.115200      -1.304600       1.447500    
 H    5.250700      -1.743300       1.626700    
 H    3.539200      -2.001400       1.233000    
 H   -6.591700      0.9880000      0.6144000    
 H   -5.237200       1.229100       1.736600    


%chk=000057302-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057302

2 1
Cl 5.388695 -3.732887 -0.298100
Cl -6.322367 3.477918 0.406009
O 5.498413 0.629564 1.107864
O -4.445241 -0.703825 1.069431
N 4.557863 0.343357 -0.065544
N -4.480556 -0.184407 -0.361852
C 3.141559 0.452594 0.519443
C -3.056611 -0.400617 -0.924531
C 4.878977 1.415847 -1.133223
C -5.517438 -1.061780 -1.111779
C 2.016953 0.046121 -0.454927
C -1.917377 0.141986 -0.042625
C 4.937882 -1.062975 -0.558655
C -4.856801 1.307904 -0.323425
C 6.295779 1.904258 -0.772300
C -5.677849 -2.312923 -0.228200
C 0.632124 0.316432 0.195297
C -0.540965 -0.179453 -0.687098
C 6.272857 1.877720 0.760931
C -5.539803 -1.737015 1.186444
C 4.898155 -2.133442 0.538178
C -6.098495 1.624845 0.519535
H 3.137920 -0.176861 1.424083
H 3.037665 1.502965 0.841770
H -2.957061 -1.492375 -1.052862
H -3.061262 0.079170 -1.921339
H 4.806642 0.956671 -2.130494
H 4.130482 2.217639 -1.030930
H -6.452390 -0.486837 -1.190117
H -5.127540 -1.269192 -2.119652
H 2.092061 0.614248 -1.402846
H 2.091432 -1.029041 -0.706004
H -1.980090 -0.315644 0.960110
H -1.998081 1.237704 0.084591
H 4.245300 -1.312297 -1.380883
H 5.958887 -0.982856 -0.966025
H -3.991901 1.845571 0.091523
H -5.001208 1.613979 -1.375903
H 6.474129 2.917901 -1.165637
H 7.072918 1.236370 -1.178043
H -4.896831 -3.062294 -0.436445
H -6.660196 -2.785506 -0.388177
H 0.581964 -0.185155 1.182393
H 0.519142 1.402588 0.384466
H -0.445416 -1.273121 -0.841163
H -0.475526 0.292323 -1.688406
H 5.760863 2.750247 1.202858
H 7.259090 1.729787 1.226901
H -5.165174 -2.451108 1.935416
H -6.462585 -1.248209 1.545279
H 5.630644 -1.947461 1.333743
H 3.896230 -2.305623 0.956423
H -7.031790 1.186792 0.137558
H -5.951869 1.388300 1.581538


