%chk=000100438.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100438

0 1
 Br  -5.197600      -1.459200     -0.8932000    
 Br  -5.383200     -0.1518000       2.030800    
 Br  -5.074100       1.756000     -0.5303000    
 O    3.514800       2.146700       1.855600    
 O    1.226200       4.147800      -1.257400    
 O    4.099000      -2.348900     -0.9463000    
 O   0.5437000      -4.053500      0.8930000    
 N    1.857400       2.336000      0.1530000    
 N    1.890300      -2.348300     -7.2499998E-02
 N  -0.1154000      -1.197300     -0.4609000    
 N  -0.1322000       1.199400     -0.3456000    
 N    1.905200     -6.3999998E-03  4.5400001E-02
 C   -2.168700      8.2999999E-03 -0.8535000    
 C   -3.040100     -6.0100000E-02  0.4221000    
 C  -0.7126000      3.1999999E-03 -0.5335000    
 C    1.185700       1.132100     -5.7500001E-02
 C    1.192900      -1.124500     -0.1678000    
 C   -4.563100      1.9800000E-02  0.2319000    
 C    3.282900       2.370200      0.4702000    
 C    1.168600       3.622100      6.3400000E-02
 C    3.309500      -2.378000      0.2370000    
 C    1.210700      -3.613600     -0.2838000    
 H   -2.395400      0.9130000      -1.427900    
 H   -2.384500     -0.8405000      -1.511600    
 H   -2.718800      0.7477000       1.096200    
 H   -2.786600     -0.9928000      0.9476000    
 H    3.715000       3.344500      0.2143000    
 H    3.845400       1.625200     -0.1034000    
 H   0.1198000       3.552100      0.3728000    
 H    1.642900       4.349500      0.7326000    
 H    3.614500      -1.550900      0.8878000    
 H    3.556000      -3.300700      0.7755000    
 H    1.925500      -4.394800     -0.5677000    
 H   0.4816000      -3.559400      -1.099800    
 H    2.920900       2.745800       2.338700    
 H   0.7673000       5.004900      -1.243500    
 H    5.030200      -2.390000     -0.6690000    
 H    1.186600      -3.989100       1.619300    


%chk=000100438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100438

0 1
Br -4.998877 0.323848 -2.191620
Br -5.374158 -2.415616 -0.420861
Br -5.303492 0.499559 1.085903
O 4.229414 2.350302 1.349894
O 0.773527 3.897713 -1.375972
O 3.882309 -1.970967 -0.580703
O 0.378848 -3.840202 1.762918
N 2.214475 2.416901 -0.061257
N 1.661485 -2.243694 0.406079
N -0.252807 -0.886185 0.067264
N 0.057409 1.499826 -0.178817
N 1.996135 0.059189 0.123117
C -2.209456 0.584524 -0.295703
C -3.002820 -0.735705 -0.290311
C -0.719770 0.373424 -0.128467
C 1.417084 1.289763 -0.028874
C 1.116580 -0.994386 0.196802
C -4.520041 -0.579947 -0.439898
C 3.675674 2.336915 -0.004954
C 1.535329 3.740356 -0.161020
C 3.130088 -2.337269 0.600840
C 0.828728 -3.452446 0.425989
H -2.554592 1.251584 0.516951
H -2.378026 1.141682 -1.236097
H -2.808699 -1.285063 0.648522
H -2.651994 -1.385289 -1.112885
H 4.077223 3.171083 -0.612573
H 4.005734 1.373703 -0.414155
H 0.889290 3.868032 0.730070
H 2.318596 4.514927 -0.180599
H 3.411868 -1.697931 1.459408
H 3.377199 -3.391006 0.805047
H 1.407394 -4.264814 -0.055413
H -0.099332 -3.250628 -0.122823
H 4.100118 3.242461 1.761563
H 0.024245 3.238402 -1.291106
H 3.745563 -0.989204 -0.686953
H 1.140048 -4.189343 2.292694


