%chk=000163130.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163130

0 1
 Br   4.968900      -2.580500      -1.516200    
 Br   3.140100      -4.494000      0.6959000    
 Cl   1.874000      -2.004800       1.788700    
 Cl   1.478700      -2.614700      -1.025500    
 O    1.310100       1.162100      0.4348000    
 O    2.815800       2.878000      0.8045000    
 O   -3.176200      -1.165900     -0.8822000    
 N  -0.7388000       2.627000       2.714400    
 C    4.785100      0.6680000     -0.1075000    
 C    3.710600     -0.3534000     -0.3404000    
 C    3.575200      0.6362000      0.7793000    
 C    3.944500      -1.783100     -1.3000000E-02
 C    6.083100      0.2321000      0.4831000    
 C    4.923000       1.760600      -1.112800    
 C    2.537700       1.694200      0.6771000    
 C    2.676300      -2.616600      0.3001000    
 C   0.2422000       2.112400      0.3205000    
 C  -0.7966000       1.600400     -0.6187000    
 C  -0.3008000       2.402200       1.663600    
 C   -1.508800      0.4421000     -0.3074000    
 C   -1.056300       2.280000      -1.808800    
 C   -2.480700     -3.6300000E-02  -1.186100    
 C   -2.028100       1.801700      -2.687500    
 C   -2.740400      0.6434000      -2.376100    
 C   -4.353800      -1.024300     -0.1670000    
 C   -5.562900     -0.8519000     -0.8410000    
 C   -4.330600      -1.054000       1.227300    
 C   -6.748800     -0.7096000     -0.1206000    
 C   -5.516600     -0.9116000       1.947600    
 C   -6.725700     -0.7396000       1.273800    
 H    3.082000     -0.2227000      -1.215000    
 H    3.739900      0.2978000       1.797700    
 H    4.634300      -1.907600      0.8279000    
 H    6.688100     -0.3129000     -0.2479000    
 H    5.977400     -0.3866000       1.379400    
 H    6.664600       1.108900      0.7923000    
 H    5.648900       1.478500      -1.883600    
 H    5.279400       2.681200     -0.6382000    
 H    3.984100       1.989200      -1.629100    
 H   0.6336000       3.053400     -8.9299999E-02
 H   -1.303600     -0.1009000      0.6121000    
 H  -0.5102000       3.183100      -2.068100    
 H   -2.229300       2.329900      -3.615000    
 H   -3.491500      0.2758000      -3.069700    
 H   -5.591600     -0.8328000      -1.926900    
 H   -3.394600      -1.193000       1.761000    
 H   -7.690400     -0.5769000     -0.6453000    
 H   -5.498800     -0.9361000       3.033300    
 H   -7.649100     -0.6294000       1.834700    


%chk=000163130-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163130

0 1
Br 5.724987 -3.043578 0.155632
Br 7.735906 -1.752296 2.760150
Cl 5.729251 0.642067 3.016918
Cl 4.669539 -2.170478 3.410580
O 1.673566 0.628797 1.365115
O 2.571584 2.761794 1.022778
O -3.391153 -0.559985 -0.512279
N -0.207176 -0.213836 4.069775
C 3.716900 -0.252673 -0.859578
C 4.111898 -0.685494 0.559740
C 3.822012 0.813700 0.285728
C 5.507382 -1.149286 0.906026
C 4.779456 -0.134513 -1.953504
C 2.356093 -0.710034 -1.378403
C 2.670934 1.517171 0.904878
C 5.852187 -1.146378 2.413398
C 0.455623 1.294298 1.977485
C -0.643741 1.437813 0.935091
C 0.094032 0.452160 3.128496
C -1.577476 0.402272 0.707855
C -0.696177 2.628432 0.166618
C -2.556274 0.558479 -0.296042
C -1.679342 2.765543 -0.836700
C -2.614791 1.736006 -1.079531
C -4.714610 -0.407050 -1.011214
C -5.167537 -1.418284 -1.884680
C -5.573377 0.630875 -0.581013
C -6.502550 -1.383006 -2.344570
C -6.904312 0.655269 -1.053851
C -7.373873 -0.345714 -1.936534
H 3.323601 -1.204592 1.115284
H 4.684666 1.481310 0.199463
H 6.295050 -0.580801 0.385645
H 4.977122 -1.123374 -2.405393
H 5.739657 0.269413 -1.585960
H 4.420631 0.541893 -2.750202
H 2.456760 -1.710855 -1.837493
H 1.979956 -0.015925 -2.152877
H 1.603029 -0.772583 -0.577422
H 0.781729 2.293540 2.326095
H -1.565710 -0.520867 1.296469
H 0.034768 3.423993 0.344795
H -1.719051 3.678979 -1.439305
H -3.369138 1.841240 -1.864982
H -4.477174 -2.212744 -2.183117
H -5.216778 1.392455 0.119671
H -6.859890 -2.166247 -3.021846
H -7.576862 1.453507 -0.721194
H -8.407929 -0.321415 -2.295798


