%chk=000089935.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089935

0 1
 Br   5.858300      -3.269500      -1.504900    
 Br   5.845500       3.511200     -2.4100000E-02
 Cl  -6.463500      -1.555400       1.652700    
 O   -1.592800     -5.0799999E-02  0.6434000    
 O   -1.528600      0.4611000      -1.630600    
 N    3.966600     -0.1785000      0.5901000    
 C    4.669400      -1.418500      0.3270000    
 C    4.731200       1.024400      0.8530000    
 C    2.556700     -0.1457000      0.6034000    
 C    1.889100       1.049400      0.8708000    
 C    1.829900      -1.309100      0.3500000    
 C    4.926700      -1.592600      -1.157400    
 C    4.802700       1.903100     -0.3809000    
 C   0.4947000       1.081200      0.8849000    
 C   0.4354000      -1.277300      0.3640000    
 C  -0.1958000     -8.2900003E-02  0.6311000    
 C   -3.617900      0.2518000     -0.5016000    
 C   -2.166800      0.2358000     -0.5930000    
 C   -4.268100     -0.5656000      0.4230000    
 C   -4.359700       1.086300      -1.337800    
 C   -5.660100     -0.5484000      0.5113000    
 C   -5.751500       1.103500      -1.249500    
 C   -6.401700      0.2862000     -0.3249000    
 H    5.642700      -1.391700      0.8372000    
 H    4.188900      -2.293800      0.7783000    
 H    4.356300       1.566300       1.730200    
 H    5.756700      0.7536000       1.139500    
 H    2.393600       1.985600       1.081400    
 H    2.284300      -2.264700      0.1149000    
 H    5.571600     -0.8089000      -1.561600    
 H    4.003500      -1.627900      -1.742100    
 H    3.827800       2.249900     -0.7307000    
 H    5.307500       1.405900      -1.212600    
 H  -2.6100000E-02   2.010300       1.094500    
 H  -0.1315000      -2.180900      0.1628000    
 H   -3.704400      -1.231300       1.072700    
 H   -3.868600       1.731900      -2.061400    
 H   -6.328900       1.753900      -1.899900    
 H   -7.486900      0.3105000     -0.2670000    


%chk=000089935-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089935

0 1
Br 5.858272 -3.888119 -0.305570
Br 6.185463 3.444506 -0.553563
Cl -6.040877 -2.902639 -0.210501
O -1.595615 -0.023574 -0.014255
O -2.115495 2.264821 -0.199109
N 4.061061 -0.098502 0.625914
C 4.750808 -1.390992 0.780516
C 4.863972 1.135232 0.692335
C 2.658382 -0.042293 0.436599
C 1.975232 1.203625 0.302860
C 1.867587 -1.232462 0.384519
C 5.038001 -2.049984 -0.584656
C 5.195863 1.677711 -0.713517
C 0.575954 1.276162 0.153780
C 0.472261 -1.166766 0.237050
C -0.177647 0.080544 0.125118
C -3.885818 0.593485 -0.258397
C -2.471772 1.062951 -0.159262
C -4.230499 -0.782276 -0.195779
C -4.897157 1.576636 -0.415962
C -5.585563 -1.138114 -0.292338
C -6.248423 1.187577 -0.510398
C -6.607430 -0.179683 -0.449018
H 5.703771 -1.227150 1.312844
H 4.152636 -2.075718 1.408858
H 4.334477 1.909512 1.276894
H 5.803690 0.921566 1.230425
H 2.525352 2.148560 0.318828
H 2.328089 -2.220837 0.464905
H 5.777575 -1.491786 -1.178223
H 4.124229 -2.223463 -1.171916
H 4.296048 1.899297 -1.305993
H 5.873566 1.016505 -1.274099
H 0.084017 2.244263 0.058679
H -0.124893 -2.083084 0.205507
H -3.451901 -1.537755 -0.074010
H -4.602660 2.629584 -0.460571
H -7.031132 1.943137 -0.631616
H -7.653219 -0.492076 -0.520678


