%chk=000001973.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001973

0 1
 Br   5.342300       3.683300       2.190500    
 O   -8.187700      0.7599000     -0.1548000    
 N   -5.411800      0.3716000      5.2299999E-02
 N   -3.610900      -1.082200     -0.4425000    
 N   0.3803000      -1.961300      0.1352000    
 N    1.994900      -3.616900      0.2554000    
 N    4.342300      -3.098300      0.1093000    
 N    5.080300     -0.9174000     -0.1577000    
 C   -6.334000     -0.7617000      0.2077000    
 C   -5.946300       1.513200     -0.6981000    
 C   -7.685000     -0.2616000      0.7062000    
 C   -7.318400       1.891900     -0.1516000    
 C   -4.038400      0.1077000      3.6200002E-02
 C   -3.197000       1.096800      0.5194000    
 C   -1.350500     -0.3633000      2.5699999E-02
 C   6.4300001E-02 -0.6503000      3.5999999E-03
 C    2.326700     -8.2999999E-03 -0.1527000    
 C   -1.828800      0.8490000      0.5106000    
 C    2.674000      -1.360400     -1.7700000E-02
 C   0.9925000      0.3588000     -0.1424000    
 C   -2.274600      -1.287100     -0.4353000    
 C    3.268700       1.087200     -0.3083000    
 C    1.670100      -2.325500      0.1262000    
 C    3.993000      -1.807400     -1.8999999E-02
 C    3.762600       1.740100      0.8173000    
 C    3.670800       1.476300      -1.582500    
 C    4.666700       2.791400      0.6670000    
 C    4.575000       2.527700      -1.732700    
 C    3.305800      -3.938300      0.2407000    
 C    5.073000       3.185300     -0.6079000    
 H   -5.942500      -1.495000      0.9228000    
 H   -6.456100      -1.256500     -0.7637000    
 H   -6.033500       1.225300      -1.753100    
 H   -5.290400       2.388700     -0.6440000    
 H   -8.408300      -1.083100      0.7123000    
 H   -7.614500      0.1266000       1.729500    
 H   -7.246000       2.293400      0.8664000    
 H   -7.770500       2.664500     -0.7815000    
 H   -3.570700       2.034900      0.9167000    
 H   -1.172300       1.614300      0.9155000    
 H   0.7054000       1.398200     -0.2695000    
 H   -1.980500      -2.251800     -0.8388000    
 H    3.445500       1.432100       1.811700    
 H    3.291900      0.9740000      -2.469200    
 H    4.891400       2.834000      -2.725400    
 H    3.543600      -4.989700      0.3469000    
 H    5.776900       4.002500     -0.7424000    
 H    5.074200     -0.3149000     -0.9681000    
 H    5.985200      -1.351200     -3.1999999E-03


%chk=000001973-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001973

0 1
Br 4.334825 4.811454 1.513654
O -8.282265 0.612108 0.654770
N -5.549400 0.468710 -0.254302
N -3.724427 -1.009367 -0.301582
N 0.325801 -1.940078 -0.142189
N 1.843462 -3.717216 -0.061920
N 4.237135 -3.337728 0.235510
N 5.186593 -1.251714 0.498180
C -6.469117 -0.675241 -0.457101
C -6.236403 1.769638 -0.168756
C -7.557380 -0.675239 0.629430
C -7.340549 1.708928 0.912209
C -4.171074 0.295751 -0.243611
C -3.239069 1.384674 -0.175443
C -1.393196 -0.238964 -0.202592
C 0.036496 -0.611626 -0.178742
C 2.429148 0.004182 -0.171203
C -1.867137 1.104018 -0.154555
C 2.746543 -1.396467 -0.034947
C 1.079406 0.375961 -0.223400
C -2.394477 -1.249946 -0.279495
C 3.447459 1.090840 -0.346276
C 1.638346 -2.340924 -0.082171
C 4.057730 -1.984248 0.218243
C 3.442032 2.217861 0.520055
C 4.366730 1.058394 -1.430859
C 4.350074 3.271853 0.295638
C 5.261332 2.129459 -1.640998
C 3.122279 -4.118545 0.059738
C 5.265692 3.250003 -0.776406
H -5.868319 -1.597965 -0.431152
H -6.947866 -0.580701 -1.453891
H -6.699737 2.011214 -1.148280
H -5.529902 2.575031 0.085050
H -8.325245 -1.437413 0.419916
H -7.102668 -0.867440 1.624663
H -6.872920 1.580855 1.912959
H -7.947246 2.629673 0.902483
H -3.571698 2.424931 -0.149706
H -1.169050 1.945713 -0.096897
H 0.833004 1.432928 -0.356528
H -2.080934 -2.297305 -0.324238
H 2.744578 2.253604 1.362305
H 4.365737 0.201894 -2.112802
H 5.958396 2.101313 -2.484932
H 3.303317 -5.198278 0.037668
H 5.959551 4.079785 -0.937183
H 5.197407 -0.236055 0.510860
H 6.035709 -1.781815 0.691828


