%chk=000030573.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030573

0 1
 Br  0.5709000       5.559800      0.7569000    
 O  -0.3266000       2.602100      0.3862000    
 C    3.962800      -2.013900     -0.6196000    
 C    5.345800      -1.905500      4.7200002E-02
 C    3.283700      -3.239900      2.5500000E-02
 C    5.595200      -3.281700      0.6453000    
 C    4.219900      -3.694100       1.139600    
 C    3.168600     -0.7308000     -0.5180000    
 C    2.838800     -0.2122000      0.7342000    
 C    2.765500     -6.6600002E-02  -1.676200    
 C    1.713400       1.617500     -0.3316000    
 C    2.105700      0.9708000      0.8281000    
 C    2.032400       1.116500      -1.582300    
 C   0.9191000       2.900000     -0.2300000    
 C   -3.230800      0.3532000     -0.4080000    
 C   -4.569900      0.1169000      0.2941000    
 C   -2.385900       1.380700      0.3439000    
 C   -5.449300     -0.9234000     -0.4057000    
 C   -1.068700       1.654000     -0.3683000    
 C   -6.756000      -1.214000      0.3356000    
 C    1.665000       3.950300      0.5853000    
 C   -7.559000      -2.309500     -0.3672000    
 C   -8.840700      -2.630300      0.3849000    
 H    4.117100      -2.249100      -1.681800    
 H    6.121800      -1.633500     -0.6764000    
 H    5.374900      -1.153100      0.8438000    
 H    2.273400      -3.046700      0.4007000    
 H    3.201000      -4.038400     -0.7228000    
 H    5.946800      -3.974700     -0.1281000    
 H    6.337200      -3.257600       1.448300    
 H    3.979500      -3.169400       2.071600    
 H    4.149300      -4.769400       1.326800    
 H    3.134800     -0.7191000       1.648500    
 H    3.014000     -0.4579000      -2.659000    
 H    1.845000       1.349900       1.811500    
 H    1.723300       1.624500      -2.491200    
 H   0.7201000       3.312600      -1.228600    
 H   -3.413300      0.7010000      -1.431800    
 H   -2.682300     -0.5936000     -0.4803000    
 H   -5.119700       1.064000      0.3593000    
 H   -4.381300     -0.2108000       1.324100    
 H   -2.183200       1.031400       1.364100    
 H   -2.939500       2.321700      0.4531000    
 H   -4.880100      -1.855800     -0.5086000    
 H   -5.676200     -0.5779000      -1.421900    
 H  -0.5449000      0.6976000     -0.4589000    
 H   -1.263200       2.051200      -1.371800    
 H   -6.531100      -1.526100       1.362700    
 H   -7.353700     -0.2969000      0.3997000    
 H    2.608900       4.249300      0.1208000    
 H    1.846000       3.644700       1.619700    
 H   -7.808000      -1.992200      -1.386600    
 H   -6.955000      -3.220700     -0.4492000    
 H   -9.399700      -3.414200     -0.1356000    
 H   -8.623300      -2.983700       1.397900    
 H   -9.483100      -1.747100      0.4593000    


%chk=000030573-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030573

0 1
Br 0.452599 5.642592 -0.139658
O -0.446133 2.449700 0.127087
C 4.581196 -1.847470 -0.284248
C 5.574520 -1.840894 0.914366
C 3.896534 -3.243286 -0.137234
C 6.169642 -3.272016 0.900772
C 5.005473 -4.198412 0.409335
C 3.618015 -0.670874 -0.345755
C 2.735664 -0.380106 0.730528
C 3.560520 0.162570 -1.491567
C 1.784225 1.527340 -0.486886
C 1.834833 0.701341 0.664542
C 2.656212 1.245644 -1.564605
C 0.825419 2.723870 -0.544232
C -3.595556 0.377940 -0.506085
C -4.862130 0.116228 0.339383
C -2.593988 1.326661 0.191704
C -5.857830 -0.852476 -0.337791
C -1.322976 1.541266 -0.634074
C -7.117391 -1.129122 0.513408
C 1.459165 3.909816 0.190399
C -8.105421 -2.111068 -0.157257
C -9.359387 -2.385406 0.700796
H 5.182226 -1.856111 -1.217015
H 6.340254 -1.049522 0.826801
H 5.018361 -1.661078 1.855247
H 3.063037 -3.163518 0.585926
H 3.462483 -3.590288 -1.091814
H 7.016026 -3.316334 0.189436
H 6.560996 -3.573728 1.888625
H 4.612741 -4.821936 1.232586
H 5.360554 -4.891330 -0.374603
H 2.751485 -1.008450 1.629551
H 4.226440 -0.045746 -2.338172
H 1.145023 0.905279 1.491701
H 2.624460 1.868926 -2.467849
H 0.648766 2.998534 -1.607742
H -3.892492 0.804611 -1.486982
H -3.098351 -0.590581 -0.724715
H -5.370707 1.080377 0.547846
H -4.563503 -0.296724 1.325612
H -2.309924 0.912447 1.178964
H -3.066915 2.309391 0.381466
H -5.343925 -1.812992 -0.553195
H -6.163774 -0.437204 -1.321032
H -0.803310 0.575627 -0.816224
H -1.562235 2.001324 -1.618653
H -6.811692 -1.536611 1.500043
H -7.639194 -0.171635 0.721949
H 2.482725 4.105551 -0.159954
H 1.433462 3.759806 1.280417
H -8.411492 -1.703255 -1.142468
H -7.582147 -3.066659 -0.366297
H -10.047702 -3.091243 0.200264
H -9.081750 -2.820394 1.679663
H -9.917730 -1.450473 0.896892


