%chk=000059863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059863

0 1
 Br  -4.558300     -0.2576000      0.8387000    
 O  -0.7590000     -0.9064000     -0.4043000    
 O    4.180100     -0.7952000      0.3226000    
 O   -2.330500      -2.477700      0.1659000    
 N    1.706200      0.5771000      8.5000005E-03
 C  -0.7113000      0.5320000     -0.4651000    
 C   0.3911000       1.002400      0.4829000    
 C    1.786400     -0.8886000     -6.2500000E-02
 C    2.768800       1.097700      0.8798000    
 C   -2.080500      0.9392000     -2.1900000E-02
 C  -0.4062000      0.9276000      -1.909400    
 C    3.170900      -1.308900     -0.5475000    
 C    4.129900      0.6311000      0.3717000    
 C   -2.823500     -0.1320000      0.2587000    
 C   -2.474900       2.376100      6.4099997E-02
 C   -1.989300      -1.316800      1.7700000E-02
 H   0.2110000      0.6193000       1.497300    
 H   0.3755000       2.098200      0.5415000    
 H    1.167500      -1.326900     -0.8423000    
 H    1.571700      -1.352200      0.9081000    
 H    2.623800      0.7444000       1.909100    
 H    2.750600       2.193500      0.8905000    
 H   -1.239100      0.6530000      -2.569100    
 H  -0.2451000       2.006600      -2.008800    
 H   0.4670000      0.4068000      -2.316100    
 H    3.254700      -2.400800     -0.5434000    
 H    3.365200     -0.9661000      -1.571600    
 H    4.353000       1.039900     -0.6215000    
 H    4.917700      0.9684000       1.052900    
 H   -2.353000       2.866500     -0.9066000    
 H   -1.857400       2.902300      0.7981000    
 H   -3.518700       2.505900      0.3639000    


%chk=000059863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059863

0 1
Br -4.782215 -0.135731 0.645974
O -0.937925 -0.960470 -0.734978
O 4.414511 -0.628895 0.243511
O -2.651740 -2.519595 -0.390319
N 1.681016 0.340394 0.114384
C -0.766542 0.528070 -0.543816
C 0.334447 0.741114 0.546256
C 1.974224 -1.107960 0.305176
C 2.769428 1.178010 0.682137
C -2.135496 0.997474 -0.040242
C -0.376091 1.118763 -1.905950
C 3.331507 -1.452987 -0.324827
C 4.110722 0.793515 0.032840
C -2.949239 -0.091482 0.063818
C -2.434915 2.433121 0.267020
C -2.256635 -1.345299 -0.350184
H 0.000585 0.210121 1.470115
H 0.352989 1.823806 0.776917
H 1.176960 -1.700863 -0.172278
H 1.997429 -1.365950 1.393051
H 2.856211 1.049516 1.789828
H 2.556133 2.244052 0.474149
H -1.131133 0.866559 -2.669189
H -0.284129 2.218348 -1.841982
H 0.603968 0.709749 -2.198938
H 3.612625 -2.496809 -0.110253
H 3.283685 -1.297967 -1.424308
H 4.068954 1.012949 -1.056562
H 4.946431 1.347618 0.491627
H -2.200508 3.081914 -0.597482
H -1.824795 2.795519 1.117257
H -3.496162 2.572198 0.529149


