%chk=000010171.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010171

0 1
 Br   5.642800      -1.994800      0.5882000    
 O   -3.406000     -0.4338000      -1.783700    
 N  -0.2618000      -2.510100     -0.1759000    
 N    4.759700      0.7493000      0.2204000    
 N   -4.199500      0.3757000      0.2455000    
 C   0.7492000      -1.454900     -0.4678000    
 C   0.2455000     -1.8500000E-02 -0.1336000    
 C    2.101700      -1.816300      0.2517000    
 C   -2.075800     -0.8663000      0.1179000    
 C   -1.595200      -2.104100     -0.6435000    
 C    3.051200     -0.6726000      0.2076000    
 C    1.242500       1.075500     -0.1334000    
 C    2.562000      0.6380000      3.0600000E-02
 C   -1.043800      0.2181000      0.1657000    
 C    3.630400       1.519300      4.4000000E-02
 C   9.1499999E-02  -3.799700     -0.7784000    
 C   -3.280800     -0.2931000     -0.5643000    
 C    4.418300     -0.5821000      0.3231000    
 C    1.039100       2.452600     -0.2844000    
 C    3.445000       2.894600     -0.1040000    
 C    2.124300       3.340700     -0.2682000    
 C   -5.413600      0.9800000     -0.2879000    
 C   -4.011300      0.5190000       1.686900    
 C   -5.181700       2.418600     -0.7016000    
 C   -4.633800     -0.6351000       2.445200    
 H   0.9439000      -1.445500      -1.552300    
 H    2.563700      -2.685700     -0.2286000    
 H    1.910600      -2.073300       1.301700    
 H   -2.292100      -1.192200       1.137000    
 H   -2.321000      -2.910100     -0.4689000    
 H   -1.566500      -1.941400      -1.729800    
 H   -1.367300       1.217800      0.4423000    
 H  -0.6879000      -4.544400     -0.5784000    
 H    1.006900      -4.209500     -0.3418000    
 H   0.2220000      -3.726400      -1.863900    
 H   4.0300000E-02   2.856500     -0.4277000    
 H    5.703100       1.107300      0.2731000    
 H    4.277500       3.589100     -9.4499998E-02
 H    1.938600       4.405700     -0.3898000    
 H   -5.727700      0.4075000      -1.167900    
 H   -6.218400      0.9093000      0.4516000    
 H   -2.958900      0.6143000       1.957400    
 H   -4.477100       1.458700       2.007500    
 H   -4.875400       3.033200      0.1509000    
 H   -4.395300       2.488900      -1.460600    
 H   -6.097900       2.847700      -1.119000    
 H   -5.716100     -0.6737000       2.282000    
 H   -4.225400      -1.602100       2.137400    
 H   -4.461700     -0.5194000       3.519900    


%chk=000010171-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000010171

0 1
Br 5.814785 -1.981253 0.629394
O -3.648871 -0.423844 -1.790576
N -0.237903 -2.484965 -0.281838
N 4.896213 0.741971 0.234054
N -4.263241 0.359100 0.307509
C 0.810618 -1.449675 -0.491837
C 0.288856 -0.038345 -0.135737
C 2.107381 -1.833662 0.306835
C -2.092961 -0.885273 0.060867
C -1.565728 -2.054865 -0.792328
C 3.111584 -0.716827 0.235048
C 1.306493 1.042549 -0.134145
C 2.649074 0.628818 0.029419
C -1.025106 0.192871 0.143680
C 3.751913 1.531896 0.037311
C 0.141378 -3.804753 -0.831917
C -3.392429 -0.309914 -0.547889
C 4.490513 -0.607869 0.349645
C 1.097733 2.432951 -0.299694
C 3.540282 2.919635 -0.119166
C 2.197442 3.340590 -0.285139
C -5.496551 0.946748 -0.274802
C -4.070895 0.518652 1.768140
C -5.294484 2.409211 -0.724791
C -4.770446 -0.582709 2.596766
H 1.106295 -1.407075 -1.576856
H 2.533393 -2.769889 -0.094785
H 1.807081 -2.033267 1.354905
H -2.299755 -1.277404 1.077002
H -2.257988 -2.912538 -0.718127
H -1.541027 -1.740311 -1.860591
H -1.345357 1.208636 0.414118
H -0.691851 -4.511971 -0.676632
H 1.021490 -4.212266 -0.307686
H 0.369845 -3.775442 -1.927422
H 0.089335 2.824914 -0.472237
H 5.859736 1.064490 0.286628
H 4.359296 3.646380 -0.120078
H 1.997359 4.409452 -0.421858
H -5.780666 0.329511 -1.143520
H -6.300939 0.878413 0.481771
H -2.994967 0.545031 2.006508
H -4.475537 1.509344 2.051420
H -4.979396 3.054387 0.116495
H -4.524086 2.457610 -1.512975
H -6.235908 2.819232 -1.134711
H -5.851914 -0.621299 2.373925
H -4.342758 -1.576759 2.375202
H -4.649531 -0.387914 3.678397


