%chk=000048326.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048326

1 1
 Br  -4.562200      -2.721800      -1.208700    
 O   0.1430000     -0.7656000     -0.3707000    
 O  -0.4547000     -0.8978000       1.849300    
 N    4.227200      0.1306000      0.2995000    
 C    3.925600     -0.7007000     -0.8912000    
 C    2.422600     -0.6869000      -1.252500    
 C    3.450400       1.454000      0.2526000    
 C    5.725000      0.4597000      0.3702000    
 C    3.839300     -0.6037000       1.590700    
 C    1.516600     -0.7686000     -3.7000000E-03
 C    2.155800      -1.912700      -2.151700    
 C    2.056600      0.5816000      -2.045600    
 C    3.815000       2.288900       1.460600    
 C    6.512100     -0.8260000      0.4989000    
 C  -0.7548000     -0.8351000      0.6641000    
 C   -2.178600     -0.8012000      0.1145000    
 C   -3.116000      -1.636600       1.019500    
 C   -2.660300      0.6271000     -9.7300000E-02
 C   -3.315100       1.302400      0.9327000    
 C   -2.446400       1.261100      -1.321400    
 C   -4.496700      -1.860000      0.4523000    
 C   -3.756300       2.611300      0.7388000    
 C   -2.887600       2.570100      -1.515200    
 C   -3.542500       3.245200     -0.4851000    
 C   -5.618100      -1.515300       1.099700    
 H    4.258000      -1.725800     -0.6870000    
 H    4.522800     -0.3294000      -1.734200    
 H    2.379200       1.402000      0.2752000    
 H    3.773100       1.987200     -0.6493000    
 H    5.933800       1.067400       1.253400    
 H    5.996500       1.015100     -0.5341000    
 H    2.895600     -0.2626000       2.013100    
 H    3.834000      -1.684300       1.420000    
 H    4.587600     -0.3835000       2.361400    
 H    1.560400     -7.4000000E-03  0.7528000    
 H    1.702500      -1.732800      0.4884000    
 H    1.111600      -1.960000      -2.480500    
 H    2.783200      -1.882600      -3.050200    
 H    2.374900      -2.847400      -1.623100    
 H    2.915600      0.9990000      -2.582300    
 H    1.318800      0.3389000      -2.822600    
 H    1.572200       1.378100      -1.477000    
 H    3.122100       3.138700       1.516300    
 H    4.804600       2.747900       1.374900    
 H    3.738200       1.776600       2.421900    
 H    7.575800     -0.5791000      0.5983000    
 H    6.431100      -1.456500     -0.3914000    
 H    6.253800      -1.427000       1.374200    
 H   -2.129300      -1.299700     -0.8626000    
 H   -2.657500      -2.626600       1.162700    
 H   -3.170000      -1.224800       2.034700    
 H   -3.476100      0.8582000       1.908900    
 H   -1.935800      0.7471000      -2.131300    
 H   -4.260300       3.139700       1.542700    
 H   -2.720200       3.064100      -2.467800    
 H   -3.884400       4.265000     -0.6355000    
 H   -6.600800      -1.702500      0.6794000    
 H   -5.579100      -1.033700       2.071200    


%chk=000048326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048326

1 1
Br -4.595387 -3.247907 -1.288155
O 0.002533 -0.908127 -0.355692
O -0.717212 -0.855509 1.855373
N 4.453452 0.210643 0.536538
C 3.817393 -0.538118 -0.685971
C 2.295629 -0.465019 -1.055895
C 3.978007 1.687736 0.581658
C 6.000577 0.195520 0.335130
C 4.117988 -0.488394 1.853060
C 1.382711 -0.768273 0.154627
C 2.142484 -1.613427 -2.106752
C 1.870465 0.861768 -1.745831
C 4.632403 2.567898 1.653694
C 6.635934 -1.191998 0.188585
C -1.000953 -0.913474 0.638174
C -2.385355 -0.956872 0.011648
C -3.352606 -1.771924 0.929058
C -2.872960 0.481260 -0.233419
C -2.906570 1.425165 0.825402
C -3.325999 0.866345 -1.518471
C -4.693695 -2.038299 0.289776
C -3.388802 2.733122 0.599194
C -3.811047 2.174839 -1.743791
C -3.841891 3.112480 -0.686283
C -5.898629 -1.575642 0.682561
H 4.085419 -1.594766 -0.519107
H 4.384192 -0.174239 -1.561985
H 2.890865 1.644184 0.743791
H 4.159037 2.093660 -0.428190
H 6.421644 0.711867 1.212201
H 6.192395 0.816358 -0.557669
H 3.073871 -0.287579 2.126975
H 4.267181 -1.571471 1.740328
H 4.782548 -0.108442 2.642508
H 1.380127 0.046068 0.903837
H 1.667495 -1.711007 0.662144
H 1.102564 -1.638901 -2.466992
H 2.802863 -1.448706 -2.977843
H 2.372947 -2.604322 -1.673347
H 2.558311 1.116908 -2.573150
H 0.862987 0.734087 -2.174076
H 1.814004 1.723967 -1.060624
H 4.138531 3.554991 1.612328
H 5.706594 2.745405 1.484247
H 4.485420 2.184497 2.677394
H 7.728443 -1.048832 0.112355
H 6.319111 -1.724629 -0.721970
H 6.461307 -1.837338 1.065622
H -2.298160 -1.468907 -0.962564
H -2.872070 -2.733317 1.194256
H -3.515369 -1.216962 1.870109
H -2.559123 1.138497 1.825968
H -3.318321 0.137721 -2.337920
H -3.417741 3.453918 1.423912
H -4.171155 2.457751 -2.738826
H -4.222168 4.124964 -0.859532
H -6.829757 -1.832206 0.171999
H -5.960663 -0.907713 1.550503


