%chk=000039156.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039156

1 1
 Cl  0.4587000       3.071600      -2.609900    
 O    1.239300      -1.055000      0.5719000    
 O  -0.4917000      0.2370000      -2.108100    
 O   -1.352100      9.4899997E-02   2.562900    
 O    2.150100      -3.172800      0.6745000    
 N    4.268900     -0.9523000     -0.2845000    
 C   -1.043000     -0.4685000      0.1788000    
 C  -4.2399999E-02  -1.606600      0.3257000    
 C  -0.5962000      0.5011000     -0.9241000    
 C   -1.035800      0.4169000       1.432500    
 C   -2.416700     -0.9866000     -9.4599999E-02
 C  -0.3157000       1.802700     -0.3127000    
 C  -0.5709000       1.754000       1.054300    
 C    3.544400      -1.215500      0.9833000    
 C    5.577900     -0.1961000     -1.7899999E-02
 C    4.614500      -2.266800     -0.9980000    
 C    3.413500     -0.1040000      -1.235800    
 C    2.261900      -1.955700      0.7296000    
 C   -3.462600     -9.5100001E-02 -0.3281000    
 C   -2.650500      -2.360700     -0.1164000    
 C   0.1287000       2.957300     -0.9272000    
 C  -0.3929000       2.857800       1.865600    
 C   0.3158000       4.084000     -0.1219000    
 C   5.7599999E-02   4.034800       1.261500    
 C   -4.745700     -0.5788000     -0.5836000    
 C   -3.933600      -2.844300     -0.3721000    
 C   -4.981200      -1.953400     -0.6057000    
 H   2.2700001E-02  -2.204800     -0.5926000    
 H  -0.2887000      -2.249000       1.181000    
 H    4.182300      -1.816700       1.641800    
 H    3.346300     -0.2629000       1.489200    
 H    5.329000      0.7541000      0.4637000    
 H    6.197300     -0.8112000      0.6412000    
 H    6.084400     -2.3100000E-02 -0.9719000    
 H    5.243100      -2.030700      -1.862400    
 H    5.158400      -2.905900     -0.2964000    
 H    3.695100      -2.749100      -1.339300    
 H    2.560300     -0.6925000      -1.582800    
 H    3.087700      0.7923000     -0.6999000    
 H    4.032400      0.1734000      -2.094800    
 H   -3.308000      0.9801000     -0.3143000    
 H   -1.890500      -3.113600      5.6200001E-02
 H  -0.5925000       2.823500       2.930500    
 H   0.6649000       5.020300     -0.5521000    
 H   0.2104000       4.925200       1.865800    
 H   -5.561700      0.1147000     -0.7648000    
 H   -4.118400      -3.914500     -0.3894000    
 H   -5.980200      -2.330000     -0.8046000    


%chk=000039156-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039156

1 1
Cl 0.730317 3.416683 -1.694638
O 1.370275 -1.437270 1.213910
O 0.730468 0.249782 -1.033327
O -1.478411 -0.118440 3.150471
O 1.983275 -2.773772 -0.608541
N 4.421171 -1.157419 -0.872475
C -0.861421 -0.472952 0.754284
C -0.088901 -1.775773 1.049998
C -0.073736 0.549933 -0.108987
C -1.172878 0.359658 2.032087
C -2.204391 -0.858079 0.063121
C -0.373924 1.911164 0.413245
C -1.015667 1.799687 1.682755
C 3.565092 -1.155521 0.402607
C 5.614883 -0.233417 -0.623064
C 4.938096 -2.567818 -1.184943
C 3.620750 -0.620749 -2.071055
C 2.229342 -1.896643 0.246892
C -2.287547 -0.922930 -1.351992
C -3.326742 -1.229100 0.847283
C -0.092703 3.194215 -0.097937
C -1.382624 2.926783 2.438300
C -0.466951 4.341276 0.635693
C -1.105971 4.203918 1.895245
C -3.487085 -1.335713 -1.972291
C -4.521475 -1.646920 0.219222
C -4.607806 -1.697232 -1.190051
H -0.187676 -2.507628 0.233296
H -0.415270 -2.201472 2.012306
H 4.159390 -1.617193 1.210732
H 3.360546 -0.107613 0.671322
H 5.252330 0.796810 -0.486144
H 6.153634 -0.567617 0.277105
H 6.284672 -0.278606 -1.494915
H 5.544488 -2.517772 -2.102120
H 5.557724 -2.914357 -0.342878
H 4.073492 -3.230404 -1.327182
H 2.849005 -1.353456 -2.339419
H 3.134947 0.326421 -1.791676
H 4.323672 -0.471183 -2.904421
H -1.424515 -0.658703 -1.971765
H -3.275547 -1.197479 1.940482
H -1.866169 2.809154 3.412200
H -0.260262 5.336040 0.229843
H -1.381747 5.107755 2.447506
H -3.544788 -1.377093 -3.065130
H -5.382096 -1.932719 0.832963
H -5.536666 -2.016740 -1.673814


