%chk=000101461.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101461

0 1
 Br  -4.967400       1.866400     -9.7000003E-02
 O    3.418900      0.8838000     -0.3694000    
 O    1.231100       2.550700     -4.4399999E-02
 O    3.047200      -1.858700     -0.4894000    
 O   -1.906200      -2.424600      0.5033000    
 N   -2.802000     -0.4721000     -0.3693000    
 C  -0.4001000     -0.7198000     -6.5499999E-02
 C    2.165400      0.3569000     -0.2694000    
 C    1.066200       1.199900     -0.1058000    
 C    1.981900      -1.024400     -0.3310000    
 C  -0.2166000      0.6615000     -3.8000001E-03
 C   0.6991000      -1.562800     -0.2291000    
 C   -1.737000      -1.281600      4.2800002E-02
 C   -4.187300     -0.8783000     -0.3017000    
 C   -5.018900      3.7000000E-02  0.5742000    
 C    3.886600       1.655000      0.7347000    
 C   5.5300001E-02   3.340200      0.1240000    
 C    3.683900      -2.329100      0.6969000    
 H   -1.084100       1.286700      0.1660000    
 H   0.5690000      -2.641200     -0.2834000    
 H   -4.564200     -0.8722000      -1.330600    
 H   -4.259300      -1.905800      6.8899997E-02
 H   -2.619100      0.4192000     -0.8180000    
 H   -4.637600      7.7900000E-02   1.598400    
 H   -6.069700     -0.2638000      0.5862000    
 H    4.965700       1.498000      0.8217000    
 H    3.420700       1.351500       1.678800    
 H    3.713600       2.718700      0.5491000    
 H  -0.4296000       3.142700       1.086200    
 H  -0.6312000       3.231900     -0.7227000    
 H   0.3726000       4.388200      0.1405000    
 H    2.983100      -2.912900       1.302100    
 H    4.078800      -1.492600       1.281900    
 H    4.516500      -2.975300      0.4055000    


%chk=000101461-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101461

0 1
Br -5.306378 1.914446 -0.125238
O 3.429768 0.648082 -0.092663
O 1.351584 2.473382 0.120311
O 2.782352 -2.216904 -0.081950
O -2.235617 -2.496839 0.432561
N -2.973190 -0.479517 -0.459738
C -0.582263 -0.750654 0.032956
C 2.103461 0.200915 0.042206
C 1.000259 1.112298 0.092944
C 1.830564 -1.198487 0.005151
C -0.330460 0.646760 0.093759
C 0.491032 -1.657577 -0.001236
C -1.975119 -1.318950 0.029761
C -4.380441 -0.877661 -0.466008
C -5.249953 -0.040772 0.474175
C 3.972393 1.502185 0.987325
C 0.267194 3.456644 0.049706
C 4.162775 -2.023912 0.396215
H -1.156477 1.356978 0.192427
H 0.296797 -2.732967 -0.017992
H -4.790910 -0.843173 -1.492436
H -4.404769 -1.930850 -0.120779
H -2.725776 0.420284 -0.873276
H -4.851143 -0.006318 1.498409
H -6.303108 -0.360028 0.462677
H 5.007924 1.720504 0.684841
H 3.966659 0.954726 1.950801
H 3.390299 2.433247 1.075101
H -0.389273 3.401077 0.939694
H -0.335561 3.319717 -0.868641
H 0.769494 4.434642 0.021640
H 4.173984 -1.605088 1.420737
H 4.730758 -1.365663 -0.278762
H 4.588442 -3.039529 0.406020


