%chk=000150016.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150016

0 1
 Br  -1.528000       3.372000     -0.1971000    
 O    7.297800       1.009900      -1.965400    
 O    6.755700      -1.101900       2.348000    
 O   -6.629600     -0.4579000     -0.4171000    
 O   -6.808400       1.740500      0.2416000    
 O   -1.699600      -2.585400      3.8400002E-02
 O   -1.888900      -2.093400       2.169400    
 N    5.588300      1.8100001E-02  4.1900001E-02
 N   1.7700000E-02  0.2319000     -0.5450000    
 N  -0.5026000      0.5143000      0.5576000    
 N   -2.053600      -1.812600      0.9592000    
 C    4.186800      6.8400003E-02 -0.1096000    
 C    6.383800     -0.8700000     -0.7822000    
 C    6.249300      0.8432000       1.033100    
 C    3.559200     -0.7293000      -1.066200    
 C    2.173300     -0.6791000      -1.215800    
 C    3.428400      0.9164000      0.6976000    
 C    6.633100     -0.2351000      -2.139700    
 C    6.157800      0.1872000       2.400300    
 C    1.415000      0.1689000     -0.4086000    
 C    2.042500      0.9667000      0.5480000    
 C    1.523100      -1.542900      -2.246600    
 C   -1.898800      0.5774000      0.4208000    
 C   -2.663300     -0.5724000      0.6187000    
 C   -4.673400      0.6832000      0.1498000    
 C   -2.521700       1.780100      8.7399997E-02
 C   -4.050500     -0.5195000      0.4831000    
 C   -3.908900       1.833100     -4.8099998E-02
 C   -6.119800      0.7383000      8.3999997E-03
 C   -8.048300     -0.5296000     -0.5960000    
 C   -8.416200      -1.920700      -1.066100    
 H    5.951500      -1.872900     -0.8686000    
 H    7.359300      -1.029500     -0.3038000    
 H    7.312700      0.9344000      0.7750000    
 H    5.878900       1.874100       1.045300    
 H    4.105500      -1.406200      -1.713600    
 H    3.854500       1.566000       1.453900    
 H    7.275200     -0.8852000      -2.742500    
 H    5.711500     -5.0299998E-02  -2.698000    
 H    6.699700      0.7872000       3.138500    
 H    5.126900      6.8200000E-02   2.744600    
 H    1.494700       1.659000       1.182700    
 H    2.254300      -2.125100      -2.817600    
 H   0.9654000     -0.9295000      -2.962000    
 H   0.8383000      -2.252400      -1.770500    
 H    7.456000       1.375700      -2.852400    
 H    6.694000      -1.481600       3.241100    
 H   -4.635200      -1.421500      0.6526000    
 H   -4.396400       2.769200     -0.3116000    
 H   -8.358300      0.2093000      -1.343000    
 H   -8.545900     -0.3151000      0.3561000    
 H   -9.496100      -2.011200      -1.213000    
 H   -8.094100      -2.671400     -0.3369000    
 H   -7.910100      -2.155400      -2.008300    


%chk=000150016-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150016

0 1
Br -2.085067 3.795790 0.819649
O 7.775744 0.499757 -1.928062
O 7.405618 -0.691390 2.382933
O -6.850103 -0.579589 -0.392821
O -7.141413 1.682952 0.101880
O -2.153442 -2.338793 -1.148638
O -1.272463 -1.964711 0.925795
N 5.658447 0.000881 0.087708
N 0.031517 0.196903 -0.376671
N -0.646995 1.084011 0.331427
N -1.962064 -1.602720 -0.103993
C 4.276701 0.066835 -0.013643
C 6.448588 -1.027448 -0.622222
C 6.431258 0.951408 0.915978
C 3.545737 -0.811384 -0.887442
C 2.149925 -0.765599 -1.006688
C 3.516662 1.022924 0.756816
C 6.832686 -0.624238 -2.053738
C 6.563864 0.516540 2.383304
C 1.418394 0.199387 -0.226323
C 2.132135 1.079487 0.648768
C 1.420440 -1.720091 -1.929250
C -2.038402 0.921615 0.246266
C -2.705884 -0.321083 -0.029845
C -4.897888 0.730757 0.037779
C -2.888421 2.051478 0.457697
C -4.098395 -0.418623 -0.161254
C -4.282455 1.969474 0.359994
C -6.382900 0.695185 -0.069674
C -8.332104 -0.714355 -0.536090
C -8.607259 -2.164705 -0.917878
H 5.897244 -1.983879 -0.639896
H 7.367659 -1.200907 -0.039010
H 7.437072 1.034711 0.473041
H 5.976885 1.956134 0.865374
H 4.080282 -1.547468 -1.493254
H 4.019791 1.707909 1.443700
H 7.315322 -1.491748 -2.553076
H 5.933742 -0.327233 -2.631619
H 7.047424 1.335403 2.958259
H 5.566298 0.306838 2.820513
H 1.551628 1.800604 1.233217
H 2.129894 -2.365491 -2.475104
H 0.800150 -1.173129 -2.660460
H 0.723433 -2.363091 -1.362225
H 7.993296 0.860673 -2.822798
H 7.442453 -1.078785 3.292134
H -4.564934 -1.378481 -0.394983
H -4.915922 2.848142 0.510392
H -8.670858 0.001053 -1.307170
H -8.798667 -0.430714 0.424695
H -9.695127 -2.317325 -1.039911
H -8.245600 -2.855014 -0.136783
H -8.111424 -2.423257 -1.868998


