%chk=000034040.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034040

0 1
 Br  -4.466600      -3.323400      -1.929500    
 O    1.200100      0.3760000      -1.736300    
 O   -2.860800       1.198700      0.2475000    
 O   -4.528600       2.118000       1.541100    
 N    1.581300       3.039200     -0.5872000    
 N    5.559900      -1.378200      0.3669000    
 N   -6.978300      -1.131300      0.5318000    
 C    1.363300      0.5354000     -0.3191000    
 C    2.268600       1.825300     -7.6899998E-02
 C  -2.2600001E-02  0.7368000      0.3153000    
 C  -0.6646000       2.047700     -0.1529000    
 C    3.720100       1.660100     -0.6784000    
 C    2.075200     -0.7133000      0.1804000    
 C   0.2828000       3.229200      8.3499998E-02
 C    3.476400     -0.6963000      0.1502000    
 C    4.317800      0.3654000     -0.2400000    
 C   -1.997700       2.275100      0.5601000    
 C    4.250700      -1.775800      0.5314000    
 C    2.380900       4.257500     -0.4285000    
 C    1.483600      -1.910200      0.6060000    
 C    5.611000     -8.1299998E-02 -0.1023000    
 C    3.671500      -2.965200      0.9712000    
 C    2.268300      -3.006900      0.9978000    
 C   0.4308000     -0.7757000      -2.033600    
 C    6.724000      -2.191600      0.6427000    
 C   -4.105900       1.239900      0.8051000    
 C   -4.909400      5.8200002E-02  0.4021000    
 C   -4.364900     -0.8898000     -0.4303000    
 C   -6.191900     -8.1900001E-02  0.8606000    
 C   -5.143200      -1.984100     -0.7909000    
 C   -6.432000      -2.057500     -0.2877000    
 H    2.396400       1.933000       1.012900    
 H   0.1104000      0.7911000       1.406700    
 H  -0.7146000     -9.5299996E-02  0.1737000    
 H  -0.8700000       1.961000      -1.228900    
 H    4.370600       2.473600     -0.3383000    
 H    3.681200       1.689200      -1.774000    
 H  -0.2010000       4.131500     -0.3128000    
 H   0.4265000       3.390200       1.160900    
 H   -2.448900       3.213900      0.2170000    
 H   -1.850200       2.329800       1.645700    
 H    1.812000       5.140000     -0.7444000    
 H    3.265600       4.238800      -1.072300    
 H    2.698100       4.410200      0.6091000    
 H   0.4028000      -2.014900      0.6457000    
 H    6.557700      0.4074000     -0.2897000    
 H    4.265200      -3.820200       1.273800    
 H    1.774600      -3.918200       1.328400    
 H   0.9815000      -1.708100      -1.890500    
 H   0.2499000     -0.7353000      -3.114900    
 H  -0.5657000     -0.8106000      -1.594700    
 H    6.708400      -2.467300       1.700100    
 H    6.680000      -3.081500      9.7000003E-03
 H    7.630600      -1.623000      0.4208000    
 H   -3.352500     -0.8164000     -0.8161000    
 H   -6.661300      0.6416000       1.518500    
 H   -7.090900      -2.885600     -0.5311000    


%chk=000034040-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034040

0 1
Br -4.710185 -3.352428 -2.219791
O 1.191959 0.383616 -1.669352
O -2.909238 1.174280 0.244889
O -4.613986 2.115104 1.531397
N 1.582900 3.034602 -0.484326
N 5.667084 -1.403306 0.237302
N -7.170180 -1.103558 0.373604
C 1.378943 0.524829 -0.188610
C 2.298885 1.803051 -0.045954
C 0.019374 0.755187 0.503193
C -0.650794 2.038074 -0.021427
C 3.647046 1.631987 -0.818562
C 2.116949 -0.701538 0.360302
C 0.296403 3.230396 0.220726
C 3.515037 -0.694873 0.175859
C 4.318798 0.355924 -0.376844
C -2.004234 2.299480 0.637441
C 4.356604 -1.780159 0.562242
C 2.406489 4.260035 -0.418931
C 1.562363 -1.848469 0.964809
C 5.634458 -0.101171 -0.325890
C 3.799777 -2.936328 1.158188
C 2.398910 -2.942731 1.352846
C 0.462426 -0.802496 -2.115723
C 6.863532 -2.214019 0.463245
C -4.200054 1.213291 0.763315
C -5.017602 0.054342 0.291128
C -4.504478 -0.918856 -0.604052
C -6.352922 -0.079907 0.750994
C -5.353377 -1.972264 -0.988056
C -6.674790 -2.040498 -0.487266
H 2.542814 1.870198 1.051329
H 0.188251 0.841302 1.596300
H -0.645412 -0.113150 0.348550
H -0.788232 1.944720 -1.115082
H 4.305050 2.498507 -0.633273
H 3.403059 1.609284 -1.897509
H -0.162248 4.161700 -0.163376
H 0.443176 3.363766 1.329448
H -2.464874 3.243060 0.290048
H -1.945572 2.324659 1.742145
H 1.773314 5.127619 -0.676321
H 3.226179 4.223552 -1.153951
H 2.849031 4.446120 0.593607
H 0.485222 -1.922596 1.151086
H 6.561900 0.378964 -0.635526
H 4.409341 -3.792972 1.465737
H 1.934470 -3.820253 1.817194
H 0.940500 -1.740452 -1.771940
H 0.488503 -0.757631 -3.216564
H -0.597735 -0.795328 -1.782533
H 7.003508 -2.428691 1.539494
H 6.801915 -3.174650 -0.081559
H 7.749795 -1.668655 0.101530
H -3.480910 -0.833830 -0.975716
H -6.770258 0.659992 1.440957
H -7.350686 -2.851935 -0.775373


