%chk=000170545.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170545

0 1
 Br   2.925900     -0.2649000      -2.900400    
 O   -5.290700       4.150900     -0.6805000    
 O   -6.422700      -2.244400      0.7368000    
 O   -2.555800      -3.611400     -0.7539000    
 O    7.977300      0.1710000       1.012800    
 O    7.926500     -0.4953000      -1.078300    
 N   -4.314500      0.6899000      7.1199998E-02
 N  -0.5907000      -2.364900     -0.3794000    
 N    1.207200     -0.2458000      0.1678000    
 N    1.805400      0.7963000     -0.1816000    
 N    7.351600     -6.8300001E-02 -4.8000000E-02
 N    2.731300       1.718000       3.148000    
 C   -4.832800       2.018900      0.3267000    
 C   -5.241200     -0.3855000     -0.2213000    
 C   -2.924900      0.4488000      9.3400002E-02
 C   -4.746900       2.861700     -0.9344000    
 C   -5.485600      -1.215200       1.027600    
 C   -2.435800     -0.8342000     -0.1527000    
 C   -2.039900       1.492900      0.3627000    
 C   -1.061600      -1.073000     -0.1296000    
 C  -0.1810000     -2.8100001E-02  0.1394000    
 C  -0.6660000       1.254200      0.3857000    
 C   -1.336100      -3.514900     -0.6645000    
 C   -5.279300       5.057900      -1.797800    
 C   -6.754200      -3.108600       1.838800    
 C    3.192900      0.5782000     -0.1529000    
 C  -0.4490000      -4.716600     -0.8727000    
 C    3.909900      0.8382000       1.015000    
 C    3.853900      0.1045000      -1.286300    
 C    5.287700      0.6243000       1.049700    
 C    5.948800      0.1504000     -8.3600000E-02
 C    5.231900     -0.1095000      -1.251700    
 C    3.258400       1.324600       2.194100    
 H   -5.888100       1.959000      0.6274000    
 H   -4.359000       2.510200       1.185100    
 H   -6.205600      3.0500000E-02 -0.5453000    
 H   -4.941200     -0.9988000      -1.079700    
 H   -5.319200       2.390000      -1.742500    
 H   -3.716000       2.977500      -1.283400    
 H   -5.893600     -0.5822000       1.825200    
 H   -4.567600      -1.673500       1.408500    
 H   -3.129800      -1.625700     -0.3637000    
 H   -2.355800       2.509200      0.5699000    
 H  -1.6100001E-02   2.092400      0.6244000    
 H   0.4215000      -2.468300     -0.3470000    
 H   -4.249700       5.233100      -2.121700    
 H   -5.722400       6.003200      -1.475000    
 H   -5.871300       4.642300      -2.617900    
 H   -7.479100      -3.847000       1.487800    
 H   -7.197800      -2.522600       2.648300    
 H   -5.855000      -3.622900       2.189000    
 H   0.2169000      -4.541700      -1.722400    
 H   -1.061900      -5.598900      -1.077000    
 H   0.1458000      -4.898800      2.6799999E-02
 H    5.829500      0.8328000       1.970400    
 H    5.731400     -0.4794000      -2.144500    


%chk=000170545-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170545

0 1
Br 3.672560 3.521854 -0.335734
O -5.675203 4.067450 -1.209046
O -6.711297 -1.846164 1.090939
O -2.414560 -3.557870 0.318311
O 8.130754 -1.235472 -0.082268
O 8.450000 1.022842 -0.244800
N -4.327678 0.796389 -0.019921
N -0.474346 -2.246695 0.108198
N 1.227994 -0.123428 -0.043465
N 2.049331 0.924988 -0.111659
N 7.690948 -0.020986 -0.158220
N 2.633572 -2.979652 0.144736
C -4.920353 2.150736 0.006296
C -5.283549 -0.333446 -0.074275
C -2.956591 0.591577 -0.012569
C -5.056596 2.760235 -1.403747
C -5.591618 -0.935391 1.312454
C -2.425230 -0.733901 0.044784
C -2.039541 1.711637 -0.064943
C -1.037518 -0.960523 0.040470
C -0.122704 0.167549 -0.027553
C -0.671562 1.492496 -0.073734
C -1.150878 -3.472498 0.233299
C -5.893026 4.779782 -2.469393
C -6.970784 -2.711651 2.242847
C 3.409507 0.600493 -0.120492
C -0.256859 -4.702103 0.250942
C 3.979772 -0.730829 -0.038899
C 4.338895 1.692496 -0.215445
C 5.378830 -0.927990 -0.051458
C 6.231297 0.186325 -0.145278
C 5.724323 1.504545 -0.228583
C 3.166736 -1.911437 0.059112
H -5.925397 2.087341 0.457425
H -4.329372 2.828587 0.644316
H -6.233996 0.032957 -0.499843
H -4.912378 -1.126375 -0.745082
H -5.691436 2.111619 -2.048261
H -4.060604 2.860600 -1.888594
H -5.872437 -0.134473 2.033210
H -4.711526 -1.479051 1.715721
H -3.068073 -1.610145 0.111393
H -2.413654 2.737097 -0.109400
H 0.035608 2.325775 -0.123251
H 0.556106 -2.277791 0.079129
H -4.935496 4.964941 -2.999894
H -6.356945 5.741505 -2.202232
H -6.573114 4.214502 -3.140572
H -7.814024 -3.358418 1.955561
H -7.247571 -2.121098 3.141654
H -6.086258 -3.338711 2.478375
H -0.472784 -5.309049 -0.646873
H -0.521095 -5.319796 1.126102
H 0.816836 -4.462185 0.273619
H 5.807846 -1.931499 0.010760
H 6.421042 2.342806 -0.301368


