%chk=000001914.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001914

0 1
 Br  -8.000500      -2.032800      0.8400000    
 P    4.257800      -1.365300      -1.171200    
 P    6.015000     -0.2900000      0.9289000    
 O   0.2224000      7.6899998E-02 -0.4819000    
 O   -1.354200       3.263500     -0.2184000    
 O    1.416400       3.031600       1.165300    
 O    2.907200     -0.8020000     -0.4817000    
 O    5.437900     -0.4358000     -0.5736000    
 O    4.154100     -0.8868000      -2.713100    
 O    4.485800      -2.838600     -0.9942000    
 O    6.690300      -1.731300       1.210800    
 O    7.284500      0.6921000      0.7403000    
 O    5.006600      0.1558000       1.946200    
 N   -2.085900      0.1118000      3.5300002E-02
 N   -3.189500      -1.373300       1.280700    
 N   -3.924700      0.9967000      -1.282800    
 N   -6.036800     -7.2300002E-02 -0.6894000    
 N   -6.190500      -1.768400      0.9919000    
 C  -0.6608000       2.147400      0.3114000    
 C   0.8343000       2.278400      0.1186000    
 C  -0.9670000      0.8899000     -0.4923000    
 C    1.275500      0.8243000      0.1501000    
 C    2.582800      0.5751000     -0.5804000    
 C   -3.394900      0.1930000     -0.3484000    
 C   -2.013800     -0.8432000       1.015500    
 C   -4.061900     -0.7349000      0.4355000    
 C   -5.434200     -0.8534000      0.2393000    
 C   -5.256100      0.7915000      -1.382400    
 H  -0.9262000       2.046800       1.370800    
 H    1.070800       2.762000     -0.8369000    
 H   -1.200700       1.116200      -1.539600    
 H    1.359900      0.4559000       1.180600    
 H    3.387600       1.176000     -0.1473000    
 H    2.479700      0.8278000      -1.640800    
 H   -1.053800       4.051100      0.2661000    
 H    1.025300       3.921400       1.139000    
 H   -1.086500      -1.108400       1.505100    
 H   -5.771600       1.400800      -2.117100    
 H   -5.659200      -2.312800       1.665200    
 H    3.593600      -1.401000      -3.332500    
 H    7.047800      -1.921600       2.104200    
 H    7.763500       1.007300       1.536200    


%chk=000001914-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001914

0 1
Br -7.168408 -2.873213 -0.044375
P 3.189491 -1.041238 -0.496594
P 6.318402 -0.930197 -0.224847
O 0.839878 0.832855 -0.554830
O -1.684201 3.344345 0.076020
O 0.739453 3.241872 2.192655
O 3.575996 0.225774 0.693728
O 4.754586 -1.664519 -0.680317
O 2.921975 -0.178878 -1.942667
O 2.088874 -2.081330 -0.045859
O 6.048681 -0.619563 1.435884
O 7.282394 -2.317033 -0.184786
O 6.840409 0.212577 -1.168607
N -1.448190 0.043738 -0.513494
N -2.275181 -2.088618 -0.413949
N -3.581973 1.321516 -0.376219
N -5.522397 -0.169166 -0.233211
N -5.290956 -2.548023 -0.217640
C -0.829561 2.260991 0.482540
C 0.593766 2.739912 0.839231
C -0.569867 1.219929 -0.655012
C 1.389949 1.424998 0.719423
C 2.898921 1.548057 0.589423
C -2.835980 0.170397 -0.427994
C -1.158144 -1.337965 -0.499129
C -3.326422 -1.157892 -0.376223
C -4.747413 -1.297729 -0.274011
C -4.921739 1.053986 -0.282223
H -1.237779 1.723168 1.366420
H 0.925704 3.483172 0.083049
H -0.731259 1.684284 -1.645480
H 1.137094 0.755124 1.564004
H 3.285320 2.124932 1.444959
H 3.192124 2.035201 -0.358926
H -2.584060 2.910348 -0.121237
H 0.163903 4.040516 2.301673
H -0.134914 -1.716158 -0.511287
H -5.590939 1.917243 -0.237375
H -4.693017 -3.377687 -0.241367
H 2.018139 0.264058 -1.898179
H 5.187310 -0.115379 1.575520
H 6.970028 -3.043005 0.414307


