%chk=000160572.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160572

0 1
 Br  -6.477700       2.268800     -3.1000001E-03
 Br  -6.350100      -3.472700     -1.9999999E-04
 Br  -8.092600     -0.5879000     -1.4000000E-03
 O   -3.822300       2.991700      2.6000000E-03
 O    5.213400      -2.839000     -1.9999999E-04
 C   0.2790000      0.6544000      3.9999999E-04
 C    1.022900     -0.5452000      3.9999999E-04
 C   -1.144900      0.6301000      5.0000002E-04
 C    2.446900     -0.5209000      1.9999999E-04
 C   -1.838700     -0.6033000      5.0000002E-04
 C   0.9721000       1.882800      3.0000001E-04
 C   0.3298000      -1.773600      6.0000003E-04
 C    3.140700      0.7125000       0.000000    
 C   -1.826700       1.860500      3.9999999E-04
 C    3.128600      -1.751300      1.9999999E-04
 C   -1.073600      -1.784200      5.0000002E-04
 C    2.375700       1.893500      9.9999997E-05
 C   -3.325500     -0.6137000      3.0000001E-04
 C    4.627500      0.7231000     -1.9999999E-04
 C   0.2524000       3.083000      3.9999999E-04
 C    1.049500      -2.973700      6.0000003E-04
 C   -4.040200      0.5997000       0.000000    
 C   -1.137400       3.076000      3.9999999E-04
 C   -3.305700       1.883700      6.0000003E-04
 C    2.439300      -2.966700      3.9999999E-04
 C    5.342200     -0.4904000     -5.0000002E-04
 C    4.607600      -1.774500     -3.0000001E-04
 C   -4.092700      -1.795600      5.0000002E-04
 C    5.394600       1.905000     -3.9999999E-04
 C   -5.443800      0.6320000     -3.9999999E-04
 C    6.745800     -0.5227000     -8.9999998E-04
 C   -5.492000      -1.767700     -1.9999999E-04
 C   -6.167000     -0.5548000     -6.9999998E-04
 C    6.794000       1.877100     -7.9999998E-04
 C    7.469000      0.6641000     -1.0000000E-03
 H   -1.561500      -2.756300      3.9999999E-04
 H    2.865600       2.864800       0.000000    
 H   0.7692000       4.040700      3.0000001E-04
 H   0.5329000      -3.931500      6.0000003E-04
 H   -1.655700       4.030900      3.9999999E-04
 H    2.965000      -3.917800      3.9999999E-04
 H   -3.604900      -2.766600      8.9999998E-04
 H    4.930800       2.887100     -1.9999999E-04
 H    7.290000      -1.463500     -1.0000000E-03
 H    7.352400       2.809000     -8.9999998E-04
 H    8.554500      0.6427000     -1.3000000E-03


%chk=000160572-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160572

0 1
Br -6.638949 2.220129 -0.002389
Br -6.286380 -3.596951 0.000141
Br -8.163463 -0.745661 -0.001595
O -3.913167 3.117089 0.002997
O 5.267530 -2.941896 -0.000087
C 0.283964 0.686754 0.000162
C 1.024653 -0.537435 0.000166
C -1.154249 0.678592 0.000310
C 2.463581 -0.531460 -0.000007
C -1.874850 -0.578638 0.000452
C 1.001660 1.934129 0.000052
C 0.302004 -1.782532 0.000381
C 3.180886 0.735675 -0.000193
C -1.856168 1.914018 0.000531
C 3.154669 -1.779680 0.000021
C -1.133728 -1.764383 0.000521
C 2.437694 1.918846 -0.000152
C -3.358333 -0.560234 0.000288
C 4.662546 0.722086 -0.000379
C 0.263159 3.154921 0.000187
C 1.030623 -3.009468 0.000429
C -4.102910 0.674847 0.000127
C -1.135797 3.140799 0.000488
C -3.346084 1.978824 0.001032
C 2.429675 -3.002417 0.000247
C 5.365781 -0.525058 -0.000365
C 4.642153 -1.828240 -0.000193
C -4.065120 -1.786349 0.000259
C 5.433753 1.918703 -0.000561
C -5.536908 0.612712 -0.000694
C 6.784562 -0.552695 -0.000530
C -5.463044 -1.830143 -0.000098
C -6.224848 -0.633716 -0.000710
C 6.839971 1.882341 -0.000725
C 7.525052 0.640345 -0.000711
H -1.628395 -2.740011 0.000646
H 2.942316 2.890047 -0.000254
H 0.804446 4.107443 0.000087
H 0.482325 -3.958055 0.000603
H -1.717358 4.067196 0.000719
H 3.008488 -3.931068 0.000267
H -3.530419 -2.735900 0.000529
H 4.939139 2.894319 -0.000577
H 7.272277 -1.532463 -0.000515
H 7.406137 2.820099 -0.000864
H 8.619525 0.614138 -0.000842


