%chk=000104767.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104767

0 1
 Br  -2.382300      -3.907500     -6.7500003E-02
 P    4.106000      0.7198000     -0.5676000    
 O   0.6445000     -0.7474000       1.567600    
 O    3.145400     -0.5294000     -0.9746000    
 O    3.870500      0.9580000       1.022900    
 O    1.820400      -2.932100     -0.4669000    
 O    3.409400       2.005700      -1.262400    
 O    5.546500      0.5385000     -0.9526000    
 O   -4.976200       1.210200     -0.7121000    
 N   -1.287300      -1.218300      0.2558000    
 N   -1.055700       1.201400      0.3426000    
 N   -3.454400      -1.286000     -0.3276000    
 N   -3.063600       2.408300     -0.1852000    
 N   -1.054900       3.512300      0.3663000    
 C    1.859000     -0.5258000     -0.3983000    
 C    1.969500     -0.4831000       1.111500    
 C    1.014500      -1.764200     -0.5922000    
 C   5.7500001E-02  -1.672100      0.6118000    
 C    2.552200      0.8416000       1.560700    
 C   -1.721600      5.9599999E-02  0.1523000    
 C   -2.378900      -2.002300     -4.6300001E-02
 C   -3.038000      9.4999997E-03 -0.2023000    
 C   -3.793600       1.231400     -0.3931000    
 C   -1.788700       2.371900      0.1572000    
 H    1.304500      0.3356000     -0.7857000    
 H    2.630200      -1.285300       1.470000    
 H   0.5227000      -1.799100      -1.568900    
 H  -4.4000000E-02  -2.628600       1.134400    
 H    1.951800       1.698200       1.240100    
 H    2.614500      0.8837000       2.652500    
 H    1.228100      -3.700700     -0.5321000    
 H  -9.0000004E-02   1.247400      0.6408000    
 H    2.476600       2.225100      -1.054900    
 H   -1.472100       4.430900      0.2635000    
 H  -7.5700000E-02   3.470900      0.6269000    


%chk=000104767-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104767

0 1
Br -2.109003 -3.787116 -0.637508
P 4.366661 0.287673 -0.743520
O 0.563850 -0.473296 1.512275
O 3.231294 -1.042288 -0.961511
O 4.054503 0.823396 0.877291
O 1.660504 -3.135845 0.032266
O 3.604766 1.553742 -1.637784
O 5.859977 -0.071629 -1.075889
O -5.056474 1.407629 -1.202895
N -1.353100 -1.095084 0.220827
N -1.375874 1.365291 0.759067
N -3.387341 -1.189550 -0.841826
N -3.348175 2.530482 -0.038007
N -1.702130 3.676900 1.163217
C 1.905121 -0.722432 -0.400889
C 1.986765 -0.415740 1.107843
C 0.965221 -1.939610 -0.421683
C -0.053531 -1.576750 0.712319
C 2.645940 0.939914 1.371443
C -1.885523 0.198581 0.210972
C -2.341307 -1.888466 -0.435257
C -3.124957 0.138536 -0.445903
C -3.945065 1.358148 -0.616137
C -2.189525 2.511716 0.599776
H 1.457067 0.132893 -0.944529
H 2.557598 -1.214100 1.619258
H 0.468218 -2.092241 -1.395504
H -0.196705 -2.462706 1.355112
H 2.134194 1.766158 0.841679
H 2.760562 1.172709 2.440625
H 2.488728 -3.245159 -0.504201
H -0.551948 1.311556 1.362121
H 4.047998 1.805207 -2.487488
H -2.291692 4.500331 1.066456
H -0.799817 3.749250 1.624582


