%chk=000229378.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229378

0 1
Br 0.530010 -1.464438 -2.671208
P 2.328354 0.410491 0.751377
O 1.206467 -0.684906 0.140358
O -3.140745 1.245829 1.259096
O -4.027077 0.639181 -0.858868
O 2.901487 1.089354 -0.624489
O 3.487097 -0.660468 1.103461
O 1.852439 1.304808 1.810228
C -2.161374 0.631172 0.504127
C -2.691617 0.262854 -0.774578
C -0.073229 -0.277870 -0.127083
C -0.859121 0.378212 0.860144
C -1.931720 -0.365394 -1.732683
C -0.585227 -0.625129 -1.385479
C -4.353018 1.257586 0.427955
C 2.502872 2.459774 -0.913341
C 3.876149 -1.568726 0.006770
C 1.117794 2.493570 -1.528534
C 5.036479 -2.336633 0.604227
H -0.450474 0.659196 1.837218
H -2.337885 -0.647356 -2.703903
H -5.105630 0.631560 0.925935
H -4.620394 2.306270 0.242464
H 2.585735 3.085666 -0.003347
H 3.289552 2.752218 -1.639940
H 3.009535 -2.219278 -0.227796
H 4.171676 -0.968668 -0.875515
H 0.314729 2.472917 -0.779973
H 0.971512 3.403706 -2.124229
H 0.961780 1.639085 -2.206940
H 5.401698 -3.110747 -0.079799
H 5.874611 -1.669637 0.849424
H 4.742734 -2.823501 1.546220


%chk=000229378-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229378

0 1
Br 0.284583 -2.197766 -2.374280
P 2.352396 0.404524 0.689926
O 1.128470 -0.775738 0.232937
O -3.197922 1.548218 1.002492
O -4.182490 0.542016 -0.940819
O 2.766800 1.145094 -0.815281
O 3.615050 -0.683843 1.011007
O 1.989530 1.397493 1.869945
C -2.265480 0.696426 0.364114
C -2.845537 0.103040 -0.778569
C -0.190971 -0.414261 -0.104966
C -0.943827 0.458079 0.735875
C -2.126619 -0.757095 -1.609121
C -0.774142 -1.004130 -1.253154
C -4.489339 1.292375 0.308017
C 2.635577 2.634459 -0.949387
C 4.041262 -1.684579 -0.032056
C 1.223329 3.023441 -1.385214
C 5.162567 -2.489634 0.612451
H -0.490527 0.903117 1.625800
H -2.575632 -1.213710 -2.493073
H -5.128344 0.665338 0.957585
H -4.950495 2.255305 0.042794
H 2.913401 3.111392 0.008499
H 3.388066 2.876269 -1.717713
H 3.166465 -2.306703 -0.290406
H 4.379462 -1.128933 -0.925651
H 0.485874 2.795355 -0.595706
H 1.181676 4.110172 -1.588051
H 0.936486 2.485877 -2.305246
H 5.528042 -3.251368 -0.101244
H 6.006151 -1.836033 0.890967
H 4.801337 -3.003498 1.518825


