%chk=000122089.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122089

0 1
 Br -0.6396000      -3.581500       2.503500    
 P   -3.165300       1.783400       1.056400    
 P   -4.111900     -0.7030000     -0.2035000    
 P   -2.154300      -2.141400      -1.877600    
 O    1.808500       2.316800      0.9632000    
 O    1.314400       4.493400      -1.132200    
 O   -1.791900       2.595000      0.7851000    
 O    5.047000       1.020900      -1.202700    
 O   -3.133600      0.5659000     -5.2000000E-03
 O   -2.921800       1.044100       2.474500    
 O   -4.412100       2.617200      0.9985000    
 O    4.342900      -3.215800      0.4283000    
 O   -3.552100      -1.399700      -1.549400    
 O   -5.510500     -4.3499999E-02 -0.6746000    
 O   -4.215300      -1.621400      0.9784000    
 O   -2.257500      -2.431000      -3.464500    
 O   -1.062700     -0.9535000      -1.781700    
 O   -1.869700      -3.344300      -1.027200    
 N    3.066900      0.6156000     -3.5300002E-02
 N    4.678100      -1.087500     -0.3808000    
 C   0.7344000       3.202700     -0.9558000    
 C   0.5686000       2.907700      0.5284000    
 C    1.708900       2.140300      -1.409100    
 C    2.591500       1.959800     -0.1848000    
 C  -0.5494000       1.913400      0.8138000    
 C    2.297900     -0.3175000      0.6497000    
 C    4.313000      0.2471000     -0.5846000    
 C    2.647600      -1.596000      0.8454000    
 C    3.952100      -2.059100      0.2927000    
 C    1.803000      -2.513900       1.565600    
 C   0.4731000      -2.414400       1.585600    
 H  -0.2038000       3.183200      -1.518500    
 H   0.4142000       3.825700       1.106700    
 H    2.295600       2.422800      -2.288900    
 H    1.168300       1.216100      -1.645600    
 H    3.438900       2.654500     -0.2255000    
 H  -0.4144000       1.473600       1.807800    
 H  -0.5607000       1.094500      8.8699996E-02
 H   0.6793000       5.146100     -0.7913000    
 H    1.362300      5.0500002E-02   1.044300    
 H    5.572200      -1.375700     -0.7685000    
 H    2.297800      -3.315800       2.107100    
 H   -3.674400      0.5857000       2.905400    
 H  -8.9100003E-02  -1.656300       1.054700    
 H   -6.297400     -0.6204000     -0.7758000    
 H   -1.556900      -2.964700      -3.896200    
 H  -0.1100000      -1.175600      -1.853700    


%chk=000122089-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122089

0 1
Br 0.059240 -4.027569 3.417389
P -3.440958 2.188033 0.991106
P -4.037534 -0.530015 -0.435388
P -1.327835 -1.995757 -1.295861
O 1.755487 2.155384 0.925701
O 1.317398 4.559807 -1.042180
O -1.883901 2.865732 0.847399
O 4.316876 0.792163 -2.066816
O -3.398293 1.059152 -0.429859
O -3.297201 1.114870 2.300939
O -4.603615 3.241395 0.923037
O 3.743884 -3.612019 -0.598749
O -2.933651 -1.368881 -1.453761
O -5.373057 -0.572569 -1.469836
O -4.339928 -1.037451 1.040171
O -0.384202 -0.793086 -2.094475
O -1.049549 -1.579598 0.316889
O -1.160992 -3.473512 -1.820445
N 2.794619 0.385708 -0.320976
N 4.028317 -1.394687 -1.264379
C 0.568348 3.313816 -0.845398
C 0.501948 2.916421 0.649843
C 1.417965 2.193886 -1.468689
C 2.419919 1.842788 -0.342272
C -0.681132 2.000382 0.992660
C 2.177230 -0.510251 0.523733
C 3.765455 -0.019149 -1.277559
C 2.428996 -1.874342 0.503420
C 3.419608 -2.400262 -0.458255
C 1.755318 -2.860626 1.351715
C 0.882988 -2.605310 2.374016
H -0.446501 3.381651 -1.280511
H 0.502499 3.796764 1.314586
H 1.931106 2.545925 -2.374919
H 0.792387 1.316920 -1.711917
H 3.358316 2.413677 -0.426090
H -0.614650 1.643039 2.034721
H -0.753085 1.138768 0.303322
H 0.792201 5.324789 -0.695427
H 1.473660 -0.047690 1.218381
H 4.733222 -1.717586 -1.935775
H 1.995542 -3.901109 1.092483
H -3.751605 0.210746 2.161138
H 0.653551 -1.619187 2.790837
H -5.168441 -0.785626 -2.417796
H -0.211678 -0.986296 -3.052609
H -0.406174 -2.145237 0.857251


