%chk=000080729.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080729

0 1
 Br  -5.534900       2.239200      -1.550800    
 O    1.508800       2.752200       1.527100    
 O   -2.471600      -2.323600      0.9622000    
 O  -0.6971000       2.218800      0.1717000    
 N   -1.077100     -8.9500003E-02 -8.3999997E-03
 C    3.068100     -0.5366000     -0.5111000    
 C    3.926300      0.3326000      0.2035000    
 C    1.160800      0.8191000      0.1542000    
 C    1.687500     -0.2794000     -0.5256000    
 C    2.004900       1.674100      0.8566000    
 C    3.378800       1.433400      0.8822000    
 C  -0.2763000       1.053200      0.1158000    
 C    3.615800      -1.637500      -1.189800    
 C    5.306900      7.5300001E-02  0.2186000    
 C   -2.488700     -0.1701000     -9.4899997E-02
 C    4.989900      -1.877700      -1.164500    
 C    5.833800      -1.022900     -0.4615000    
 C   -3.148100      -1.285500      0.3937000    
 C   -3.180200      0.8821000     -0.6726000    
 C   -4.538500      -1.351000      0.3023000    
 C   -4.570500      0.8165000     -0.7643000    
 C   -5.249700     -0.3001000     -0.2768000    
 C   -3.248800      -3.422600       1.432400    
 H    1.046800     -0.9415000      -1.105100    
 H    4.032700       2.106500       1.434200    
 H    2.975500      -2.319400      -1.745500    
 H    5.985500      0.7300000      0.7615000    
 H  -0.6330000     -0.9833000      0.1919000    
 H    5.400800      -2.732600      -1.693700    
 H    6.903400      -1.210500     -0.4420000    
 H   -2.668400       1.743600      -1.089600    
 H   -5.134000      -2.184500      0.6582000    
 H   -6.332900     -0.3659000     -0.3414000    
 H    2.242200       3.227300       1.953900    
 H   -3.921200      -3.124600       2.244000    
 H   -2.550300      -4.153800       1.852700    
 H   -3.777000      -3.923900      0.6141000    


%chk=000080729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080729

0 1
Br -5.861526 2.366537 -1.347641
O 1.377045 2.715050 1.466390
O -2.327080 -2.165830 0.877681
O -0.707192 2.254256 -0.617504
N -1.182682 0.080093 0.138687
C 3.092541 -0.623590 -0.523365
C 3.949699 0.259227 0.240999
C 1.136947 0.791622 0.035247
C 1.693762 -0.324075 -0.599814
C 1.999247 1.653655 0.802408
C 3.368739 1.389266 0.899834
C -0.320189 1.136553 -0.170171
C 3.665508 -1.759218 -1.183387
C 5.351287 -0.035098 0.318470
C -2.587039 0.026923 -0.014858
C 5.034687 -2.021809 -1.091212
C 5.881877 -1.151397 -0.333401
C -3.219641 -1.192842 0.385967
C -3.377359 1.083551 -0.528440
C -4.612960 -1.350976 0.275454
C -4.770693 0.896953 -0.631424
C -5.404908 -0.295490 -0.240312
C -2.887083 -3.441503 1.327635
H 1.049818 -0.973680 -1.205624
H 4.015161 2.047410 1.496015
H 3.012777 -2.420174 -1.766273
H 6.004525 0.629518 0.896322
H -0.772178 -0.761239 0.556771
H 5.466206 -2.890960 -1.598921
H 6.954456 -1.365230 -0.268376
H -2.890259 2.013271 -0.825756
H -5.100003 -2.280805 0.582197
H -6.488057 -0.411879 -0.329269
H 2.040126 3.279215 1.936910
H -3.594499 -3.290598 2.165175
H -2.025333 -4.032579 1.670180
H -3.395525 -3.966727 0.496608


