%chk=000087126.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087126

0 1
 Br  -2.493700      -2.820600     -0.9306000    
 Cl  0.6969000       2.546300      0.6904000    
 Cl  -2.456500       2.269300       1.418200    
 O    6.947500       2.321000      -1.537900    
 O    5.219800      -1.503700       2.538900    
 O   -7.391200       1.150100      0.1958000    
 O   -7.435200     -0.8402000     -0.7292000    
 N    4.880400     -0.3121000     -2.4400000E-02
 N  -0.6702000      0.1671000     -0.6014000    
 N   -1.244500     -0.2921000      0.4126000    
 N   -6.810500      0.1109000     -0.2005000    
 C    5.733300      0.8589000     -6.9300003E-02
 C    5.482900      -1.618100      0.1541000    
 C    3.483000     -0.1835000     -0.1663000    
 C    6.140800       1.150400      -1.503400    
 C    4.913400      -2.288200       1.393100    
 C    2.840100      0.9732000      0.2747000    
 C    2.743700      -1.213700     -0.7477000    
 C    1.458200       1.099800      0.1341000    
 C    1.361800      -1.087100     -0.8882000    
 C   0.7191000      6.9700003E-02 -0.4474000    
 C   -2.637900     -0.1940000      0.2578000    
 C   -3.352300      -1.239100     -0.3264000    
 C   -3.304100      0.9520000      0.6903000    
 C   -5.402500      8.2000000E-03 -4.6399999E-02
 C   -4.735200      -1.138000     -0.4787000    
 C   -4.687000       1.053200      0.5379000    
 H    5.313400       1.755300      0.3943000    
 H    6.642500      0.6808000      0.5216000    
 H    5.343900      -2.246100     -0.7327000    
 H    6.567900      -1.515600      0.2816000    
 H    5.265100       1.329500      -2.135500    
 H    6.707400      0.3214000      -1.940400    
 H    5.385500      -3.266500       1.529800    
 H    3.833600      -2.452600       1.364300    
 H    3.374100       1.780100      0.7648000    
 H    3.206300      -2.121200      -1.122800    
 H   0.7980000      -1.893600      -1.349400    
 H    7.737000       2.148700     -0.9970000    
 H    4.798800     -0.6354000       2.420000    
 H   -5.277600      -1.962500     -0.9363000    
 H   -5.189000       1.955300      0.8813000    


%chk=000087126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087126

0 1
Br -2.530759 0.911324 -2.774699
Cl 1.095568 2.877939 -1.286785
Cl -2.966013 -1.014281 2.635936
O 7.069717 1.640375 -2.258075
O 6.457198 -0.797083 2.630265
O -7.876124 -0.479140 0.676008
O -7.702147 0.309641 -1.462119
N 4.890627 -0.413149 0.088296
N -0.686583 0.653728 -0.263757
N -1.500110 -0.272119 0.184992
N -7.185850 -0.082797 -0.343473
C 5.885345 0.593965 -0.343604
C 5.424808 -1.711744 0.558063
C 3.521393 -0.172635 0.001065
C 6.161661 0.558190 -1.870106
C 5.532210 -1.806101 2.097259
C 3.018655 1.060599 -0.531766
C 2.559919 -1.148140 0.448177
C 1.642534 1.294295 -0.596831
C 1.193900 -0.895889 0.361242
C 0.681704 0.334309 -0.160234
C -2.883908 -0.076653 0.006013
C -3.537542 0.350188 -1.197704
C -3.735870 -0.499336 1.076661
C -5.714147 -0.080198 -0.220295
C -4.936360 0.341768 -1.319043
C -5.129681 -0.502046 0.994507
H 5.555972 1.610958 -0.065797
H 6.823065 0.401874 0.209030
H 4.818217 -2.549013 0.165045
H 6.440104 -1.827631 0.139901
H 5.236337 0.748769 -2.437046
H 6.553295 -0.437738 -2.166739
H 5.974187 -2.779444 2.370488
H 4.534327 -1.723965 2.572261
H 3.692615 1.833301 -0.905627
H 2.891134 -2.100065 0.869403
H 0.461751 -1.633252 0.706411
H 7.986327 1.442771 -1.939678
H 5.987071 0.070972 2.705128
H -5.435635 0.657935 -2.237664
H -5.761909 -0.813183 1.828593


