%chk=000161677.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161677

0 1
 Br  -5.559900     -0.7083000      1.8000000E-03
 Br   5.560400      0.7083000      3.0000001E-04
 O  -0.4046000      -2.640700     -2.7000001E-03
 O   0.4047000       2.640600     -9.9999997E-05
 O   -2.094400       3.128600     -2.6000000E-03
 O    2.094400      -3.128700      7.9999998E-04
 N   -2.948400      -2.376000      6.9999998E-04
 N    2.947800       2.376100      2.6000000E-03
 C   -1.367500     -0.4880000     -9.9999997E-05
 C    1.367500      0.4881000     -3.9999999E-04
 C   -1.146600      0.8907000     -3.9999999E-04
 C    1.146600     -0.8908000     -6.0000003E-04
 C  -0.2289000      -1.429300     -6.9999998E-04
 C   0.2290000       1.429200     -1.0000000E-03
 C   -2.676200     -0.9856000      5.0000002E-04
 C    2.676100      0.9856000      3.0000001E-04
 C   -2.234300       1.772200     -1.9999999E-04
 C    2.234400      -1.772200     -3.0000001E-04
 C   -3.757300     -0.1037000      1.1000000E-03
 C    3.757200      0.1038000      5.0000002E-04
 C   -3.536900       1.272200      6.0000003E-04
 C    3.536900      -1.272200       0.000000    
 H   -4.380800       1.959000      6.0000003E-04
 H    4.380800      -1.958900      3.0000001E-04
 H   -2.203200      -3.056700      1.4000000E-03
 H   -3.909100      -2.693400      1.5000000E-03
 H    3.908500       2.693600      5.0000002E-04
 H    2.202500       3.056800     -1.2000001E-03
 H   -2.971000       3.549400     -2.3000001E-03
 H    2.971100      -3.549400      1.0000000E-03


%chk=000161677-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161677

0 1
Br -5.653237 -0.746442 0.001412
Br 5.653173 0.746231 0.000674
O -0.448693 -2.723596 0.001360
O 0.448337 2.723800 -0.000522
O -2.092169 3.192085 0.000069
O 2.091832 -3.192006 0.001369
N -2.969879 -2.388756 -0.000473
N 2.970194 2.388720 -0.001149
C -1.379046 -0.500233 -0.000436
C 1.378934 0.500397 -0.000679
C -1.146116 0.920300 -0.000494
C 1.145949 -0.920151 -0.000241
C -0.241416 -1.449261 -0.000700
C 0.241238 1.449435 -0.000980
C -2.725465 -1.040677 0.000017
C 2.725449 1.040708 -0.000488
C -2.264076 1.805133 0.000072
C 2.263840 -1.805068 0.000694
C -3.801902 -0.093835 0.000720
C 3.801794 0.093764 0.000361
C -3.585695 1.280044 0.000743
C 3.585492 -1.280091 0.000969
H -4.443763 1.962241 0.001220
H 4.443510 -1.962352 0.001633
H -2.128887 -2.995284 -0.002391
H -3.928111 -2.734490 -0.000131
H 3.928522 2.734196 -0.000991
H 2.129361 2.995472 -0.002414
H -2.978153 3.640274 0.000590
H 2.977784 -3.640259 0.002086


