%chk=000104609.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104609

0 1
 Cl  -6.417000      -1.628200     -8.8399999E-02
 O    4.326500     -0.8702000     -0.3455000    
 O    4.679400       1.350000      6.6100001E-02
 N    2.511800      0.5214000     -6.6799998E-02
 N   -1.079300      0.9294000      0.1475000    
 N   -2.899100       1.602400      -1.935800    
 C  -0.1097000      0.6286000       1.181900    
 C   0.5926000     -0.7019000      0.8857000    
 C   0.8980000       1.776900       1.305400    
 C    1.592100     -0.6021000     -0.2675000    
 C    1.876500       1.822600      0.1327000    
 C   -2.329200      0.3422000      7.8500003E-02
 C    3.904600      0.4099000     -0.1018000    
 C   -3.248500      0.6591000     -0.9435000    
 C   -2.720500     -0.6052000       1.046400    
 C   -4.504400      5.4499999E-02 -0.9945000    
 C   -3.976400      -1.209800      0.9953000    
 C    5.744000      -1.069200     -0.3972000    
 C   -4.868400     -0.8800000     -2.5100000E-02
 C    6.027100      -2.530400     -0.6733000    
 H  -0.6083000      0.5740000       2.157200    
 H  -0.1163000      -1.507800      0.6702000    
 H    1.142200      -1.003000       1.787600    
 H    1.471600       1.639400       2.231400    
 H   0.3798000       2.739700       1.388800    
 H    2.132000      -1.548100     -0.3639000    
 H    1.070300     -0.4285000      -1.215900    
 H    1.365500       2.085200     -0.8003000    
 H    2.630400       2.595400      0.3148000    
 H  -0.7951000       1.540100     -0.6072000    
 H   -2.075400     -0.9050000       1.866300    
 H   -5.199500      0.3117000      -1.790900    
 H   -4.247400      -1.936500       1.757100    
 H    6.169800     -0.4523000      -1.196200    
 H    6.187800     -0.7811000      0.5622000    
 H   -2.011500       2.082200      -1.915900    
 H   -3.564700       1.828500      -2.663600    
 H    7.103300      -2.718400     -0.7194000    
 H    5.590600      -3.161600      0.1078000    
 H    5.573100      -2.838300      -1.621000    


%chk=000104609-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104609

0 1
Cl -6.458611 -1.789113 -0.433182
O 4.294109 -0.906745 -0.379987
O 4.676249 1.402552 -0.156308
N 2.505424 0.510648 -0.042902
N -1.103624 0.973897 0.230590
N -2.723836 1.631165 -1.884410
C -0.110275 0.697605 1.285389
C 0.630106 -0.663871 1.096534
C 0.930322 1.845491 1.341372
C 1.578768 -0.638893 -0.123172
C 1.882420 1.838239 0.123754
C -2.345404 0.316697 0.145288
C 3.875906 0.425940 -0.190995
C -3.193278 0.657577 -0.966551
C -2.815757 -0.626724 1.093593
C -4.436035 0.007389 -1.134727
C -4.069894 -1.265926 0.936062
C 5.765691 -1.081445 -0.536613
C -4.847515 -0.953127 -0.189201
C 6.007999 -2.575428 -0.730848
H -0.655329 0.677309 2.248366
H -0.104222 -1.479600 0.963720
H 1.216589 -0.881905 2.010215
H 1.534886 1.729694 2.260131
H 0.406642 2.817701 1.399267
H 2.170222 -1.563206 -0.180133
H 0.982431 -0.562405 -1.058106
H 1.334216 2.107006 -0.806803
H 2.690113 2.576990 0.248792
H -0.732598 1.287199 -0.672084
H -2.200832 -0.893795 1.958144
H -5.084683 0.267441 -1.977844
H -4.414640 -1.999870 1.669336
H 6.101653 -0.483442 -1.403023
H 6.266406 -0.686635 0.365976
H -2.307873 2.478326 -1.489437
H -3.276011 1.780074 -2.728758
H 7.089926 -2.764631 -0.855439
H 5.653573 -3.150020 0.142266
H 5.485063 -2.946562 -1.629072


