%chk=000152822.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152822

0 1
 Br  -4.965800      -2.482700     -0.5452000    
 O   0.5743000      0.8520000      0.6169000    
 O   -4.628300      0.3489000     -0.4770000    
 O    1.946500      -1.694200      -1.430500    
 N   0.9477000      -1.716300      0.6980000    
 C   -1.219300     -0.6533000      0.2417000    
 C   -2.579100     -0.7923000     -4.4199999E-02
 C  -0.4216000      -1.791300      0.4114000    
 C   -1.466400       1.880200      0.1856000    
 C  -0.6133000      0.6880000      0.3671000    
 C   -2.826200       1.741300     -0.1003000    
 C  -0.9860000      -3.061900      0.2951000    
 C   -3.432200      0.4001000     -0.2259000    
 C   -3.141400      -2.069200     -0.1601000    
 C   -2.342900      -3.200500      1.0100000E-02
 C  -0.9041000       3.157100      0.3017000    
 C   -3.623900       2.879400     -0.2698000    
 C  -0.1644000      -4.299700      0.4680000    
 C    2.017600      -1.672600     -0.2058000    
 C    3.346100      -1.593900      0.5297000    
 C   -1.702600       4.288600      0.1319000    
 C   -3.059500       4.150000     -0.1529000    
 C    4.142700     -0.3595000      0.1973000    
 C    5.041200     -0.3907000     -0.8597000    
 C    3.966800      0.7909000      0.9534000    
 C    5.779000      0.7526000      -1.167300    
 C    4.704600       1.934100      0.6456000    
 C    5.610600       1.914900     -0.4147000    
 H   -2.769700      -4.197600     -7.9400003E-02
 H    1.149300      -1.478400       1.666700    
 H   0.1509000       3.294600      0.5232000    
 H   -4.684700       2.803300     -0.4927000    
 H   0.5697000      -4.386800     -0.3396000    
 H   0.3551000      -4.288500       1.432000    
 H  -0.7808000      -5.205200      0.4494000    
 H    3.916900      -2.492600      0.2617000    
 H    3.210200      -1.658500       1.616300    
 H   -1.265700       5.279000      0.2221000    
 H   -3.678900       5.032600     -0.2845000    
 H    5.178600      -1.290000      -1.453300    
 H    3.264400      0.8156000       1.781600    
 H    6.484200      0.7379000      -1.993200    
 H    4.573400       2.839100       1.231500    
 H    6.185000       2.805000     -0.6545000    


%chk=000152822-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152822

0 1
Br -4.570830 -2.449161 -1.594068
O 0.385627 0.886966 1.448289
O -4.485045 0.424403 -1.061255
O 2.281127 -2.937932 -0.536990
N 1.025884 -1.539359 0.897498
C -1.148058 -0.581936 0.259548
C -2.459632 -0.715111 -0.338813
C -0.279859 -1.727329 0.392984
C -1.529033 1.946587 0.504879
C -0.699353 0.747026 0.764374
C -2.792444 1.827141 -0.129131
C -0.770411 -3.038797 0.083560
C -3.328062 0.494535 -0.542934
C -2.868579 -2.015561 -0.733499
C -2.051212 -3.140201 -0.489570
C -1.055006 3.222199 0.905552
C -3.574702 2.984993 -0.361504
C -0.026624 -4.305510 0.436254
C 2.215740 -2.116059 0.419882
C 3.473919 -1.586933 1.130221
C -1.833999 4.369922 0.666135
C -3.097329 4.250977 0.030353
C 4.090846 -0.414568 0.364448
C 4.695592 -0.629552 -0.900858
C 4.052518 0.898872 0.895140
C 5.259361 0.449233 -1.616541
C 4.619747 1.978869 0.180029
C 5.226251 1.757096 -1.077230
H -2.435924 -4.134318 -0.736723
H 1.119518 -0.630970 1.406938
H -0.079675 3.283326 1.396708
H -4.547414 2.861907 -0.847148
H 0.759964 -4.522671 -0.307155
H 0.484854 -4.204913 1.410718
H -0.723448 -5.158483 0.491640
H 4.185051 -2.430488 1.169943
H 3.236417 -1.286327 2.165730
H -1.465547 5.355277 0.970114
H -3.702182 5.144998 -0.154499
H 4.710594 -1.640761 -1.323613
H 3.579897 1.079303 1.868409
H 5.724655 0.270709 -2.592537
H 4.587339 2.989030 0.603654
H 5.667467 2.593073 -1.631535


