%chk=000001913.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001913

0 1
 Br   2.579500       3.634600      0.2198000    
 P   -2.539300      -1.575500      0.5573000    
 O  -0.9782000       1.115600      -1.414000    
 O   -1.791000     -0.2446000       1.079600    
 O   -2.560400      -1.370600      -1.046700    
 O   -1.556400       3.330900      0.8673000    
 O   -4.080400      -1.372300       1.006600    
 O   -1.923200      -2.866700       1.010100    
 N    1.075300       1.173100     -0.2171000    
 N    3.241700      0.8730000      0.2234000    
 N   0.3805000      -1.140400     -0.4755000    
 N    2.254000      -2.671200     -0.1555000    
 N    4.465600      -1.907900      0.3465000    
 C   -2.199900       1.026700      0.5901000    
 C   -2.331100       1.049000     -0.9289000    
 C   -1.056200       1.997700      0.8159000    
 C  -0.2021000       1.851300     -0.4482000    
 C   -3.048300     -0.1367000      -1.555600    
 C    1.284000     -0.1775000     -0.2386000    
 C    2.281700       1.760100      6.4199999E-02
 C    2.632100     -0.3422000      3.7000000E-02
 C    3.111300      -1.647800      7.4800000E-02
 C   0.9609000      -2.358600     -0.4126000    
 H   -3.129700       1.320300       1.086700    
 H   -2.823000       1.974400      -1.254800    
 H  -0.4921000       1.811100       1.735800    
 H   2.2500001E-02   2.819200     -0.9080000    
 H   -4.125900     -8.3600000E-02  -1.372900    
 H   -2.887800     -0.1489000      -2.638100    
 H   -2.137900       3.393000       1.644400    
 H   -4.556200     -0.5484000      0.7699000    
 H   0.3077000      -3.203000     -0.6031000    
 H    4.789900      -2.865200      0.3676000    
 H    5.107800      -1.146000      0.5179000    


%chk=000001913-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001913

0 1
Br 2.341106 3.585344 -1.357178
P -3.544593 -1.041295 0.561227
O -0.859510 1.420371 -1.485577
O -3.618338 0.676041 0.837800
O -2.649771 -1.093517 -0.920126
O -0.888880 2.022485 2.106884
O -5.196675 -1.249699 0.123950
O -3.022427 -2.010860 1.693754
N 1.140814 1.178932 -0.205812
N 3.386759 0.983697 -0.695936
N 0.757671 -1.119477 0.701277
N 2.798661 -2.486091 0.673739
N 4.871385 -1.676873 -0.121559
C -2.527882 1.510693 0.283338
C -2.330147 1.368588 -1.258997
C -1.135687 1.243839 0.903022
C -0.188791 1.758622 -0.202236
C -2.890684 0.062240 -1.834845
C 1.520400 -0.134013 0.154014
C 2.320488 1.777114 -0.713970
C 2.901639 -0.224124 -0.152005
C 3.544125 -1.465022 0.129142
C 1.474662 -2.261710 0.927562
H -2.846783 2.529441 0.556200
H -2.789516 2.218084 -1.801011
H -0.961828 0.159177 1.059294
H -0.078218 2.856758 -0.112787
H -3.974364 0.155028 -2.038388
H -2.350548 -0.207685 -2.755177
H -1.175416 1.505150 2.899136
H -5.587265 -2.099698 0.452819
H 0.920605 -3.096963 1.364257
H 5.273871 -2.585557 0.099161
H 5.440537 -0.936121 -0.525676


