%chk=000127471.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127471

0 1
 Br   5.750300      0.8862000       1.586400    
 O    2.371800     -0.1751000     -0.4242000    
 O   -4.158000     -0.8297000      0.3650000    
 O   -2.133400       2.127900      0.2327000    
 O   -6.104300      8.3200000E-02 -0.4550000    
 O    5.588700      -1.518300     -0.6134000    
 O    3.720200      -2.032000      -1.653700    
 N   -2.604500      0.4378000      -1.291100    
 N    4.356500      -1.321400     -0.8223000    
 C    1.922000      0.8415000      0.3391000    
 C   -4.014400      0.7146000      -1.451200    
 C    2.908600       1.368000       1.119200    
 C   0.5535000       1.266100      0.2864000    
 C    3.690800     -0.3088000     -0.1270000    
 C    4.069500      0.6171000      0.8170000    
 C  -0.3769000      0.6751000     -0.4785000    
 C   -1.782300       1.175500     -0.4561000    
 C   -4.883400     -3.5599999E-02 -0.4695000    
 C   -4.912700      -1.574000       1.327200    
 C   -3.962000      -2.398300       2.168900    
 H   -4.187000       1.786900      -1.318600    
 H   -4.290600      0.4100000      -2.464600    
 H    2.817000       2.187200       1.819800    
 H   0.2831000       2.108500      0.9183000    
 H   -2.223100     -0.3473000      -1.811000    
 H  -0.1415000     -0.1704000      -1.116900    
 H   -5.469700     -0.8819000       1.968600    
 H   -5.615500      -2.235000      0.8079000    
 H   -4.506400      -2.980800       2.917200    
 H   -3.384600      -3.083000       1.538800    
 H   -3.240500      -1.751900       2.679600    


%chk=000127471-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127471

0 1
Br 6.386879 1.212144 -0.138388
O 2.456480 -0.096941 0.231728
O -4.433395 -1.079794 0.442629
O -1.728973 2.753283 -0.812379
O -6.267390 0.275903 -0.055460
O 5.563162 -1.761082 0.846644
O 3.381969 -2.468170 1.045221
N -2.622733 0.715832 -0.134842
N 4.280584 -1.580223 0.763132
C 2.260195 1.230642 -0.218941
C -3.999105 1.173533 -0.318971
C 3.506005 1.841626 -0.402006
C 0.911587 1.699490 -0.401945
C 3.840198 -0.288713 0.321333
C 4.511748 0.879788 -0.059727
C -0.213522 0.956769 -0.171308
C -1.559215 1.558280 -0.401508
C -5.032676 0.109691 0.024882
C -5.358986 -2.202654 0.809884
C -4.486250 -3.383333 1.218525
H -4.202505 2.068949 0.300460
H -4.169090 1.498207 -1.364263
H 3.678464 2.860354 -0.741690
H 0.783132 2.730983 -0.753702
H -2.489554 -0.242634 0.196689
H -0.137153 -0.079691 0.181041
H -6.011142 -1.848836 1.627899
H -5.990665 -2.421110 -0.069226
H -5.128929 -4.237992 1.497052
H -3.832625 -3.701344 0.388479
H -3.855296 -3.130858 2.087757


