%chk=000045014.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045014

0 1
 Br   1.010600       4.565300     -0.3678000    
 O  -0.4113000      -1.278700      0.2450000    
 O    2.148000      -1.612900      0.7500000    
 O   -1.044700      -4.005200      0.3186000    
 O    6.086600      0.4604000      0.4560000    
 N    3.498300     -0.2560000     -0.5585000    
 C   -1.107700       1.002500      2.9300001E-02
 C  -9.6500002E-02  4.2800002E-02  0.1060000    
 C    1.241800      0.4304000      4.1499998E-02
 C   -2.502100      0.6229000      9.3800001E-02
 C  -0.7750000       2.351200     -0.1132000    
 C    1.571800       1.778300     -9.9500000E-02
 C    2.312300     -0.5544000      0.1202000    
 C   0.5633000       2.738700     -0.1773000    
 C   -3.196800      0.3186000      -1.076700    
 C   -3.151600      0.5600000       1.326600    
 C  -0.5847000      -2.029900     -0.9532000    
 C    4.640500      -1.140800     -0.5944000    
 C   -4.541200     -4.8500001E-02  -1.014700    
 C   -4.495500      0.1916000       1.388700    
 C   -1.568300      -3.154700     -0.6942000    
 C    5.592900     -0.8691000      0.5557000    
 C   -5.190600     -0.1125000      0.2181000    
 H   -1.560600       3.102300     -0.1737000    
 H    2.606800       2.110100     -0.1182000    
 H   -2.708400      0.3674000      -2.046900    
 H   -2.624700      0.7934000       2.248800    
 H  -0.9434000      -1.402900      -1.776800    
 H   0.3894000      -2.443400      -1.237400    
 H    3.568900      0.5921000      -1.110800    
 H    5.140600     -0.9638000      -1.552300    
 H    4.295200      -2.179100     -0.5644000    
 H   -5.082400     -0.2845000      -1.926300    
 H   -5.001100      0.1416000       2.348700    
 H   -1.745000      -3.746800      -1.596800    
 H   -2.523400      -2.765000     -0.3307000    
 H    5.100600     -0.9838000       1.526700    
 H    6.446100      -1.552600      0.5162000    
 H   -6.237100     -0.3989000      0.2667000    
 H  -0.2055000      -4.370500     -1.0200000E-02
 H    5.320600       1.058700      0.4895000    


%chk=000045014-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045014

0 1
Br 0.967632 4.704879 -0.503069
O -0.655885 -1.206073 0.282823
O 2.103369 -1.371510 1.283299
O 1.152962 -3.699607 0.151691
O 6.113418 -0.016262 0.242326
N 3.217615 -0.524465 -0.566288
C -1.306445 1.124510 -0.079054
C -0.288437 0.135043 0.081089
C 1.089085 0.499918 0.073137
C -2.762136 0.793631 -0.079765
C -0.904149 2.478284 -0.250679
C 1.463844 1.854038 -0.111879
C 2.159160 -0.534775 0.324005
C 0.457322 2.823213 -0.273679
C -3.640394 1.463377 -0.976663
C -3.311573 -0.154331 0.827730
C -0.506134 -2.141235 -0.874058
C 4.285566 -1.546769 -0.502760
C -5.025959 1.196074 -0.969045
C -4.698428 -0.415487 0.837655
C -0.218937 -3.533094 -0.307810
C 5.352359 -1.232636 0.563506
C -5.562055 0.255980 -0.058953
H -1.667709 3.256267 -0.337126
H 2.517506 2.148186 -0.081559
H -3.233189 2.177263 -1.702459
H -2.649780 -0.677748 1.522024
H -1.454670 -2.124951 -1.447309
H 0.327537 -1.808101 -1.523330
H 3.175317 0.102211 -1.372172
H 4.765360 -1.590726 -1.495790
H 3.821490 -2.527277 -0.285252
H -5.683772 1.716039 -1.674200
H -5.105690 -1.141536 1.550009
H -0.355482 -4.280809 -1.109810
H -0.952314 -3.745404 0.499097
H 4.880890 -1.167988 1.563199
H 6.099851 -2.042637 0.574102
H -6.637843 0.048582 -0.049557
H 1.378148 -2.990020 0.821919
H 5.529248 0.770245 0.386757


