%chk=000129443.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000129443

0 1
Br 1.960000 0.350736 -3.534344
P -3.741201 -0.731446 0.502408
P -3.303636 2.215375 -0.139224
P -0.183436 2.271327 -0.140213
O 0.258827 -2.494973 1.313955
O 0.578026 -3.148010 -2.183941
O -2.278949 -1.150356 -0.147705
O -3.342856 0.852879 0.782659
O -4.707431 -0.651350 -0.794204
O -4.214334 -1.493557 1.644806
O -1.767599 2.679541 0.106527
O -4.000512 3.331827 0.793058
O -3.834683 1.947266 -1.473733
O -0.070600 0.780548 0.466338
O -0.225232 1.961041 -1.741698
O 0.731493 3.275781 0.387830
N 2.463939 -1.680136 1.226221
N 3.300891 0.243240 2.201576
N 2.263294 -0.801058 -1.136347
N 2.830575 1.586516 -1.306716
N 3.643575 2.854527 0.533858
C 0.407020 -3.515590 -0.836798
C -0.311309 -2.396822 -0.025461
C 1.631291 -2.911349 1.208934
C 1.746716 -3.720125 -0.088042
C -1.820039 -2.507485 0.143998
C 2.572633 -0.720444 0.210161
C 2.907680 -1.007759 2.429783
C 3.090522 0.472775 0.829358
C 3.193894 1.663057 0.041781
C 2.441672 0.377779 -1.758755
H -0.188328 -4.451964 -0.906058
H -0.058319 -1.378184 -0.431004
H 1.822701 -3.483716 2.146749
H 2.595027 -3.397844 -0.729217
H 1.933669 -4.787263 0.121006
H -2.094277 -2.816228 1.177566
H -2.285187 -3.172932 -0.610235
H 1.168575 -2.346681 -2.278026
H 2.916549 -1.520212 3.382736
H 3.472032 3.701099 -0.000389
H 3.695842 2.972128 1.541079
H -4.501787 0.018855 -1.537832
H -3.477047 3.639177 1.598199
H -0.663559 0.029396 0.090060
H 0.398276 2.454213 -2.348905


%chk=000129443-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129443

0 1
Br 1.948455 0.913117 -3.514069
P -4.116326 -0.831882 0.698315
P -3.886745 2.140063 -0.218284
P -0.702595 2.037846 0.029763
O 0.246382 -2.323814 1.326221
O 0.738852 -2.561766 -2.251180
O -2.383891 -1.051765 0.644655
O -4.007613 0.903337 0.998487
O -4.616695 -1.003751 -0.908463
O -4.897574 -1.647023 1.787950
O -2.324735 2.773066 0.007451
O -4.816583 3.432918 0.335413
O -4.344549 1.550977 -1.623806
O -0.776495 0.902242 1.251193
O -0.812677 1.091534 -1.394134
O 0.409308 3.145198 0.144866
N 2.568772 -1.578014 1.154651
N 3.992091 -0.026082 2.091059
N 2.299213 -0.506599 -1.103741
N 3.552847 1.583050 -1.283425
N 4.886967 2.438184 0.464043
C 0.417980 -3.154981 -0.971159
C -0.322759 -2.137003 -0.034550
C 1.639002 -2.739460 1.160277
C 1.667628 -3.592661 -0.129531
C -1.824597 -2.311981 0.040543
C 2.801685 -0.609202 0.170777
C 3.303059 -1.159360 2.285189
C 3.682951 0.332324 0.769771
C 4.060837 1.467964 -0.006550
C 2.727846 0.625003 -1.718776
H -0.211032 -4.029050 -1.208081
H -0.091785 -1.119684 -0.400921
H 1.891466 -3.307294 2.069967
H 2.590694 -3.464341 -0.716341
H 1.589682 -4.653991 0.156605
H -2.104011 -3.162670 0.686003
H -2.250442 -2.416656 -0.973182
H 1.324860 -1.759747 -2.054749
H 3.284613 -1.726512 3.213776
H 5.080124 3.254119 -0.114668
H 5.236318 2.382541 1.419682
H -4.583679 -0.136206 -1.461745
H -4.338747 4.070915 0.928464
H -1.400002 0.084505 1.123625
H -0.173700 1.276192 -2.139593


