%chk=000063644.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063644

0 1
 Br   7.062400     -0.2052000     -0.6074000    
 O    2.219500       1.347300       1.362500    
 N   -2.617900       1.743100     -0.9007000    
 N   0.7126000     -0.3988000       1.023600    
 N    1.405900      -2.417200     -2.4800001E-02
 C   -1.152300       1.141300      0.6175000    
 C   -2.222700      0.7055000     -9.9900000E-02
 C  -0.8636000       2.473700      0.2679000    
 C  -0.3912000      0.3286000       1.630900    
 C   -1.805800       2.836000     -0.6971000    
 C   -2.907500     -0.5660000     -0.1156000    
 C   9.9699996E-02   3.422400      0.6649000    
 C   -1.833000       4.104500      -1.287400    
 C    1.963500      0.2199000      0.9506000    
 C   -3.979200     -0.7898000      0.7475000    
 C   -2.495600      -1.567600     -0.9933000    
 C   8.4799998E-02   4.695200      8.2900003E-02
 C    3.022600     -0.5977000      0.3154000    
 C   0.5071000      -1.675800      0.5341000    
 C  -0.8677000       5.028900     -0.8780000    
 C    2.699100      -1.881100     -0.1451000    
 C   -4.640400      -2.017900      0.7327000    
 C   -3.156800      -2.795800      -1.008200    
 C   -4.229200      -3.020900     -0.1451000    
 C    4.320300     -9.3400002E-02  0.1803000    
 C    3.699400      -2.653800     -0.7453000    
 C    5.305200     -0.8765000     -0.4199000    
 C   -4.935300      -4.334400     -0.1610000    
 C    4.995900      -2.154400     -0.8821000    
 H  -7.7000000E-03  0.9837000       2.422100    
 H   -1.063900     -0.3879000       2.117800    
 H   -3.392900       1.716500      -1.549500    
 H   0.8201000       3.215000       1.446700    
 H   -2.574500       4.365400      -2.035000    
 H   -4.311600     -1.8200001E-02   1.437800    
 H   -1.665300      -1.406100      -1.676900    
 H   0.8175000       5.435100      0.3940000    
 H  -0.5055000      -2.068100      0.6891000    
 H  -0.8628000       6.024400      -1.314700    
 H   -5.475600      -2.180700       1.408800    
 H   -2.828500      -3.568300      -1.698500    
 H    4.564800      0.9032000      0.5397000    
 H    3.474000      -3.652800      -1.111000    
 H   -4.251900      -5.146900     -0.4307000    
 H   -5.344900      -4.575200      0.8259000    
 H   -5.755900      -4.311000     -0.8850000    
 H    5.753200      -2.776700      -1.352300    


%chk=000063644-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063644

0 1
Br 7.543303 -0.060921 0.895755
O 2.198869 1.008725 2.224116
N -2.719662 1.591675 -1.061392
N 0.904552 -0.396343 0.849965
N 1.871588 -1.901551 -0.774996
C -1.182804 0.947997 0.497428
C -2.363091 0.563659 -0.167049
C -0.816498 2.263586 0.004024
C -0.371401 0.122548 1.458647
C -1.803805 2.646017 -0.968824
C -3.180104 -0.662714 -0.084081
C 0.252099 3.153988 0.296650
C -1.765198 3.887972 -1.638824
C 2.150713 0.120998 1.318231
C -3.515267 -1.251068 1.166632
C -3.673664 -1.284224 -1.266235
C 0.296154 4.392941 -0.370567
C 3.326872 -0.473003 0.650554
C 0.837381 -1.355263 -0.159535
C -0.699583 4.756556 -1.326098
C 3.148096 -1.461626 -0.371840
C -4.295168 -2.424050 1.227902
C -4.462176 -2.450654 -1.196042
C -4.787682 -3.045619 0.050947
C 4.628986 -0.053031 1.029036
C 4.295756 -2.017820 -1.002453
C 5.734217 -0.623232 0.387284
C -5.658001 -4.287265 0.123495
C 5.584010 -1.605228 -0.629074
H -0.048479 0.718611 2.329536
H -0.938444 -0.751281 1.819409
H -3.590351 1.606374 -1.589487
H 1.017545 2.883532 1.032435
H -2.525803 4.170904 -2.374923
H -3.197310 -0.762911 2.094605
H -3.404857 -0.871685 -2.246299
H 1.108525 5.095177 -0.153945
H -0.173736 -1.661064 -0.448272
H -0.633750 5.729182 -1.826410
H -4.539327 -2.855903 2.205977
H -4.820055 -2.915093 -2.122962
H 4.729743 0.703647 1.812336
H 4.144829 -2.770480 -1.781453
H -5.528217 -4.925566 -0.767987
H -5.425709 -4.894431 1.015796
H -6.730642 -4.017252 0.180123
H 6.465945 -2.033309 -1.113933


