%chk=000126691.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126691

0 1
 Br   4.243400      -3.843100      0.9066000    
 P    2.234600      -2.185600     -0.7043000    
 P    5.033400     -0.9851000      0.3542000    
 P    5.118600       1.935200     -7.2200000E-02
 O  -0.9581000      0.2978000     -0.8314000    
 O   0.2988000       2.856500       1.355600    
 O   -1.692300       3.394700     -0.4271000    
 O    1.701200     -0.6690000     -0.8814000    
 O    3.041400      -2.472500      -2.076300    
 O    1.190600      -3.210000     -0.3693000    
 O    4.426500      0.4949000      0.1444000    
 O    5.595900      -1.373700      -1.110300    
 O    6.034200      -1.121200       1.463100    
 O    3.876700       2.970200     -4.0300000E-02
 O    5.870000       2.223200       1.330300    
 O    5.995800       2.051600      -1.283900    
 N   -3.196300      0.1370000     -5.7200000E-02
 N   -4.092500      -1.557000       1.085200    
 N   -5.207400       1.088600      -1.033000    
 N   -7.195000     -0.1606000     -0.3658000    
 N   -7.089500      -2.069800       1.073100    
 C  -0.5047000       1.773500      0.9387000    
 C   -1.832200       2.200700      0.3411000    
 C   0.1284000      0.9975000     -0.2031000    
 C   -2.174300       1.038100     -0.5924000    
 C    1.184200      5.7999999E-03  0.2514000    
 C   -4.543400      0.1979000     -0.2812000    
 C   -2.976100     -0.9345000      0.7690000    
 C   -5.080100     -0.8598000      0.4357000    
 C    3.560800      -2.024400      0.5197000    
 C   -6.460200      -1.024400      0.3756000    
 C   -6.532700      0.8276000      -1.014500    
 H  -0.6832000       1.110800       1.794500    
 H   -2.590800       2.401000       1.103500    
 H   0.5679000       1.667400     -0.9532000    
 H   -2.538600       1.383400      -1.567000    
 H   0.7395000     -0.7296000      0.9314000    
 H    1.994500      0.5195000      0.7733000    
 H  -0.2153000       3.368300       2.003000    
 H   -1.037800       3.237000      -1.127900    
 H   -1.989400      -1.214200       1.112200    
 H    3.087900      -1.742300       1.466200    
 H    2.534000      -2.634300      -2.900000    
 H   -7.152100       1.500300      -1.597900    
 H   -6.543500      -2.715300       1.627500    
 H   -8.093900      -2.168200       1.014200    
 H    6.426100     -0.9571000      -1.425700    
 H    3.315800       3.063400     -0.8396000    
 H    6.729800       1.785000       1.506300    


%chk=000126691-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126691

0 1
Br 6.345058 -3.204727 1.020898
P 3.320615 -2.904962 -0.066495
P 5.288559 -0.383274 -0.013416
P 4.020915 2.271537 -0.357531
O -0.958670 -0.862604 -0.112155
O 0.417822 2.357997 -0.069900
O -1.976296 2.600648 0.440786
O 2.184574 -1.611439 -0.332954
O 3.847821 -3.134423 -1.658410
O 2.798194 -4.169200 0.728367
O 4.003626 0.698027 0.519027
O 4.900446 -0.683120 -1.670327
O 6.706860 0.291773 0.252615
O 2.728211 3.084020 0.211389
O 5.327251 3.103333 0.337752
O 4.165448 1.872677 -1.906737
N -3.282718 -0.311048 -0.184035
N -5.101308 -1.705369 -0.219818
N -4.451149 1.862699 0.172135
N -6.877178 1.594181 0.311883
N -7.950879 -0.499102 0.136405
C -0.003353 1.208725 0.750389
C -1.560384 1.258376 0.773031
C 0.348083 -0.140444 0.043380
C -1.922262 0.209246 -0.319266
C 1.335707 -1.068095 0.747527
C -4.401151 0.502246 -0.001863
C -3.761552 -1.630319 -0.317073
C -5.514189 -0.373729 -0.027528
C 4.776247 -1.991976 0.814772
C -6.798399 0.225771 0.140006
C -5.733699 2.326004 0.320695
H 0.441919 1.308437 1.753841
H -1.949987 0.917719 1.751051
H 0.746968 0.098893 -0.962228
H -1.795061 0.670004 -1.324632
H 0.803838 -1.880655 1.274889
H 1.970792 -0.494575 1.448450
H -0.413049 2.954275 -0.114847
H -3.029512 2.561878 0.313548
H -3.084286 -2.466622 -0.466891
H 4.443698 -1.732880 1.833911
H 4.276760 -2.286827 -2.021416
H -5.847291 3.403871 0.462584
H -7.917141 -1.509735 0.012238
H -8.840318 -0.017570 0.259207
H 4.661812 0.206202 -2.126603
H 1.686954 2.784029 0.038967
H 6.172252 2.565328 0.325184


