%chk=000027108.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027108

0 1
 Br  -6.848400      -1.083200      -1.592800    
 O    1.233600       1.825900      2.2900000E-02
 O   -1.900800     -0.9840000       1.609400    
 N    2.084800      -1.539700      0.1644000    
 N    2.490800     -0.1912000      0.1686000    
 N   -1.068000      9.7599998E-02 -0.2991000    
 C   0.7083000      -1.559200     -6.4800002E-02
 C   0.2048000     -0.3200000     -0.1205000    
 C    1.348400      0.6117000      5.9999999E-02
 C    3.833200      0.2188000     -2.7500000E-02
 C  -3.9900001E-02  -2.845400     -0.1693000    
 C    2.695800      -2.451300       1.126900    
 C   -2.080000     -0.2766000      0.6179000    
 C   -1.348100      0.9515000      -1.473100    
 C    4.215900       1.534300      0.2525000    
 C    4.784900     -0.6887000     -0.5032000    
 C   -3.454100      0.2107000      0.4095000    
 C    5.536900       1.938300      5.9000000E-02
 C    6.106000     -0.2848000     -0.6966000    
 C    6.482000       1.028700     -0.4155000    
 C   -4.332800     -0.5385000     -0.3563000    
 C   -3.841000       1.411700      0.9823000    
 C   -5.633300     -7.4699998E-02 -0.5544000    
 C   -5.141500       1.875600      0.7841000    
 C   -6.037600       1.132500      1.5699999E-02
 H   0.4606000      -3.517700     -0.8742000    
 H   -1.061600      -2.702700     -0.5339000    
 H  -9.2100002E-02  -3.342800      0.8042000    
 H    3.746900      -2.234200       1.330700    
 H    2.639300      -3.480700      0.7575000    
 H    2.167900      -2.400900       2.086400    
 H   -1.548100       1.968700      -1.123300    
 H   -2.228000      0.5743000      -2.001000    
 H  -0.5004000      0.9569000      -2.165700    
 H    3.517900       2.264100      0.6497000    
 H    4.525900      -1.709000     -0.7708000    
 H    5.831600       2.959300      0.2835000    
 H    6.840300     -0.9903000      -1.074300    
 H    7.510400       1.343300     -0.5668000    
 H   -4.008800      -1.478200     -0.7970000    
 H   -3.148500       1.996500       1.581200    
 H   -5.456100       2.815600       1.228000    
 H   -7.047300       1.508000     -0.1288000    


%chk=000027108-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027108

0 1
Br -7.508982 -1.216760 0.225610
O 1.228803 1.840427 -0.003908
O -1.956838 -1.420239 1.130421
N 2.150127 -1.607019 0.027279
N 2.458145 -0.217919 0.194319
N -1.117380 -0.033314 -0.553528
C 0.767570 -1.695228 -0.227648
C 0.227339 -0.418917 -0.283800
C 1.273388 0.572319 -0.015818
C 3.805738 0.246247 0.113351
C 0.093043 -3.024180 -0.379130
C 2.802529 -2.541116 0.978773
C -2.143583 -0.486002 0.286770
C -1.295843 0.879331 -1.713210
C 4.146483 1.471060 0.742716
C 4.786735 -0.486308 -0.605019
C -3.496220 0.181205 0.192455
C 5.470360 1.949539 0.653042
C 6.111170 -0.003320 -0.667955
C 6.460793 1.214560 -0.040019
C -4.644230 -0.651599 0.212142
C -3.648643 1.590455 0.236716
C -5.919539 -0.059595 0.231567
C -4.939184 2.160931 0.279881
C -6.091056 1.340518 0.265417
H 0.743545 -3.754359 -0.892196
H -0.831034 -2.897585 -0.965118
H -0.215675 -3.429160 0.601336
H 3.895591 -2.428608 0.922529
H 2.537702 -3.569425 0.689022
H 2.469722 -2.354571 2.017977
H -0.809695 1.850712 -1.515084
H -2.364461 1.028437 -1.921131
H -0.823418 0.422248 -2.601173
H 3.375229 2.036843 1.269890
H 4.501177 -1.401241 -1.134735
H 5.729052 2.898989 1.134343
H 6.865476 -0.571955 -1.223186
H 7.488443 1.589045 -0.096097
H -4.520300 -1.737860 0.231787
H -2.764121 2.235392 0.266982
H -5.055761 3.248543 0.329142
H -7.092399 1.779681 0.290787


