%chk=000072168.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072168

0 1
 Br  -2.072500       2.832900     -0.8851000    
 Cl   5.567600      -1.607300       2.643400    
 O   -2.530700      -1.211400      -1.060000    
 O    3.652600      -3.524900      0.5909000    
 O    4.776300      -3.005300      -1.304300    
 N    3.632500     -0.2198000     -0.3476000    
 N    4.449000      0.5794000       1.534100    
 N   -4.596000      0.5704000       2.866700    
 N   -3.054500     -0.6377000       1.729900    
 N   -3.551000      0.1804000       3.610200    
 N   -2.613000     -0.5383000       2.977800    
 C    2.944700     -0.2519000      -1.641600    
 C    3.790500      0.8746000      0.4355000    
 C    3.271100       2.207700      6.7199998E-02
 C    1.488800     -0.5479000      -1.489200    
 C    4.298200       3.332300      0.3129000    
 C    4.212200      -1.281400      0.2619000    
 C  -0.7822000      0.2140000      -1.183200    
 C   0.5847000      0.5105000      -1.325100    
 C    5.564000       3.156400     -0.5259000    
 C   -1.179500      -1.118900      -1.211700    
 C    1.049500      -1.874000      -1.512800    
 C    4.715100     -0.7633000       1.432000    
 C   -1.972000      0.9675000      -1.003100    
 C  -0.3048000      -2.191800      -1.373400    
 C   -3.001000      5.7000000E-02 -0.9342000    
 C   -4.424000      0.1601000     -0.7637000    
 C    6.545500       4.295200     -0.2993000    
 C    4.260500      -2.618100     -0.2409000    
 C   -5.023700      0.1486000      0.5018000    
 C   -5.230800      0.2755000      -1.901900    
 C   -6.409200      0.2513000      0.6265000    
 C   -6.616300      0.3781000      -1.777100    
 C   -4.236000      3.4000002E-02   1.702600    
 C   -7.205500      0.3659000     -0.5130000    
 H    3.431500      -1.014400      -2.260700    
 H    3.126400      0.6843000      -2.176900    
 H    2.380600       2.413900      0.6733000    
 H    2.966600       2.291800     -0.9763000    
 H    4.563500       3.367300       1.377100    
 H    3.827500       4.293400      7.1400002E-02
 H   0.9141000       1.542500      -1.327100    
 H    6.065100       2.213800     -0.2799000    
 H    5.301400       3.115500      -1.589500    
 H    1.757000      -2.687400      -1.652200    
 H  -0.6535000      -3.217400      -1.392800    
 H    6.854500       4.343400      0.7497000    
 H    6.099900       5.257400     -0.5713000    
 H    7.441500       4.151000     -0.9112000    
 H   -4.790600      0.2867000      -2.896700    
 H   -6.900200      0.2373000       1.596600    
 H   -7.236500      0.4669000      -2.664200    
 H   -8.284400      0.4440000     -0.4163000    
 H    3.695700      -4.434600      0.2263000    
 H   -3.474700      0.4150000       4.594100    


%chk=000072168-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072168

0 1
Br -2.074161 2.458726 -2.603584
Cl 6.553102 -1.580291 2.054754
O -2.578633 -1.018698 -0.352427
O 5.702417 -3.769392 0.087537
O 4.052618 -3.535401 -1.526304
N 3.856631 -0.645347 -0.729252
N 4.969017 0.365163 0.968880
N -4.940884 -0.116087 2.905748
N -3.028191 0.705336 1.922795
N -3.895682 -0.004909 3.777808
N -2.720394 0.488275 3.220179
C 2.917509 -0.817300 -1.874429
C 4.055475 0.536233 -0.029409
C 3.334394 1.823912 -0.319219
C 1.455093 -0.889327 -1.447687
C 3.967962 3.052350 0.374490
C 4.691667 -1.638035 -0.142499
C -0.805100 0.004438 -1.449585
C 0.546891 0.112055 -1.851523
C 5.332650 3.469920 -0.219123
C -1.205126 -1.099621 -0.645329
C 1.011753 -1.995811 -0.657620
C 5.353641 -0.947330 0.899551
C -2.006099 0.789630 -1.644992
C -0.329391 -2.116249 -0.240644
C -3.051709 0.180832 -0.967758
C -4.478504 0.486729 -0.797910
C 5.909675 4.724172 0.470924
C 4.753294 -3.015229 -0.607662
C -5.119329 0.473070 0.481158
C -5.258587 0.750589 -1.954145
C -6.523335 0.667948 0.558368
C -6.647689 0.970348 -1.861560
C -4.369985 0.333702 1.739192
C -7.285726 0.910552 -0.600946
H 3.210576 -1.748872 -2.383350
H 3.075778 0.029739 -2.564893
H 2.277890 1.715799 0.000666
H 3.301300 1.993306 -1.415790
H 4.091479 2.833845 1.451426
H 3.257535 3.898815 0.290214
H 0.878197 0.957209 -2.465713
H 6.044225 2.629552 -0.112390
H 5.217625 3.663348 -1.306238
H 1.732618 -2.774085 -0.386786
H -0.673784 -2.958585 0.364979
H 6.064229 4.540853 1.550579
H 5.224511 5.587490 0.370007
H 6.883774 5.012090 0.035010
H -4.767859 0.756021 -2.932287
H -7.001326 0.648052 1.542754
H -7.229627 1.169145 -2.767456
H -8.367026 1.063515 -0.521097
H 5.686449 -4.696387 -0.274595
H -3.966329 -0.265603 4.760882


