%chk=000063550.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063550

0 1
 Br  -3.556300       3.961100      2.9700000E-02
 Br  -6.932900     -0.3759000      -1.329400    
 S    3.163800      -1.527600      -1.209100    
 O   0.1134000      -3.674200     -0.2633000    
 O   -2.204300      -2.355700      0.5313000    
 N    1.168200      -1.707600      0.4450000    
 N  -0.8360000     -0.5505000       1.081000    
 N   -1.596000       1.684000      0.7926000    
 N    2.617400      0.1611000      0.7564000    
 C   0.2667000      -1.395600       1.512000    
 C    1.006000      -2.837700     -0.3689000    
 C    2.262900     -0.9147000      0.1429000    
 C   -2.010400      -1.146700      0.6139000    
 C   -3.066700     -0.1940000      0.2010000    
 C    2.066800      -2.942500      -1.434000    
 C   -2.814900       1.180400      0.3079000    
 C  -0.6974000      0.8242000       1.143200    
 C   -4.291400     -0.6629000     -0.2859000    
 C   -3.812500       2.080700     -8.2199998E-02
 C   -5.274500      0.2477000     -0.6700000    
 C   -5.036100       1.617100     -0.5686000    
 C    3.771400      0.7955000      0.2631000    
 C    3.655800       1.760600     -0.7318000    
 C    5.018700      0.4522000      0.7738000    
 C    4.800500       2.389700      -1.221300    
 C    6.163400       1.081200      0.2842000    
 C    6.054300       2.050000     -0.7134000    
 H  -0.1361000      -2.327600       1.923700    
 H   0.8136000     -0.8823000       2.311100    
 H    2.622000      -3.875300      -1.308600    
 H    1.599900      -2.905900      -2.421300    
 H   0.2678000       1.172800       1.537500    
 H   -4.480400      -1.730400     -0.3663000    
 H   -5.806700       2.323900     -0.8696000    
 H    2.682700       2.033600      -1.131400    
 H    5.113300     -0.2994000       1.552900    
 H    4.715400       3.144400      -1.997700    
 H    7.139700      0.8170000      0.6800000    
 H    6.945500       2.539900      -1.094500    


%chk=000063550-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063550

0 1
Br -2.763689 4.241837 0.520022
Br -5.965439 0.454309 -2.449081
S 3.025294 -2.387567 -1.256462
O 0.427481 -4.490394 0.927257
O -1.801650 -2.304812 0.073115
N 1.198098 -2.274408 0.723845
N -0.600188 -0.705733 1.293820
N -1.149931 1.642233 1.270357
N 2.295901 -0.208877 0.464811
C 0.321016 -1.754758 1.782575
C 1.118693 -3.631017 0.335221
C 2.151680 -1.435976 0.098949
C -1.660776 -1.097025 0.417804
C -2.526052 0.022847 -0.013903
C 1.979982 -3.917088 -0.890978
C -2.234875 1.358323 0.426859
C -0.397919 0.630836 1.654121
C -3.624337 -0.257851 -0.863778
C -3.095068 2.404011 -0.028127
C -4.438880 0.802160 -1.277453
C -4.187286 2.137588 -0.869633
C 3.228901 0.743544 -0.021082
C 2.797283 2.095990 -0.091653
C 4.568969 0.417147 -0.372845
C 3.680929 3.098867 -0.539572
C 5.448788 1.431289 -0.807547
C 5.010041 2.772565 -0.900806
H -0.259046 -2.621463 2.144484
H 0.927905 -1.314625 2.589900
H 2.637703 -4.777642 -0.700066
H 1.326458 -4.132117 -1.751657
H 0.464071 0.820988 2.298824
H -3.801262 -1.292323 -1.170500
H -4.834697 2.951033 -1.205752
H 1.769385 2.339385 0.197405
H 4.927886 -0.613920 -0.279794
H 3.333552 4.135907 -0.600911
H 6.480725 1.172883 -1.069987
H 5.696953 3.554455 -1.241882


