%chk=000216934.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216934

0 1
Br -2.298198 1.589560 -1.741184
Cl -4.209880 -2.479336 1.473824
Cl 1.279148 3.880797 0.023059
P 1.644434 -0.312299 -0.707298
O 1.379275 1.040003 0.239800
O 3.190472 -0.025005 -1.114258
O 1.752252 -1.371082 0.551388
O 0.747934 -0.630773 -1.818579
C -0.987306 0.543594 0.600225
C 0.086425 1.524709 0.341718
C 4.050426 0.549310 -0.070771
C 1.738839 -2.788869 0.227940
C -2.113600 0.443036 -0.231681
C -0.872758 -0.314169 1.709475
C 5.441139 0.421139 -0.658716
C 0.375930 -3.251721 -0.246212
C -3.119311 -0.491487 0.025624
C -1.870470 -1.249196 1.988317
C -2.978624 -1.323269 1.139690
C -0.062415 2.858212 0.308055
H 3.744676 1.606323 0.070034
H 3.932787 -0.020659 0.869921
H 2.543644 -3.012259 -0.497501
H 2.005905 -3.224935 1.213602
H 0.016110 -0.252609 2.346823
H 6.185571 0.946988 -0.050770
H 5.747691 -0.628724 -0.749521
H 5.472990 0.842620 -1.675460
H 0.322684 -4.345608 -0.295416
H -0.425439 -2.910082 0.423230
H 0.122976 -2.872612 -1.252743
H -3.992261 -0.577899 -0.626810
H -1.786078 -1.909778 2.852121
H -1.011269 3.370180 0.455274


%chk=000216934-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216934

0 1
Br -2.696961 2.186168 -1.560715
Cl -4.924075 -1.979138 1.484316
Cl 1.586350 3.763050 -0.015038
P 1.659480 -0.527041 -0.571179
O 1.226749 0.799258 0.503333
O 3.255102 -0.112443 -1.042396
O 1.830366 -1.708034 0.680562
O 0.712345 -0.861084 -1.792442
C -1.233096 0.708868 0.580039
C 0.006440 1.505055 0.374391
C 4.190749 0.547516 -0.065586
C 2.129089 -3.123927 0.273651
C -2.462442 0.876149 -0.118218
C -1.175473 -0.329688 1.556687
C 5.502232 0.735172 -0.819111
C 0.864115 -3.866771 -0.160446
C -3.584599 0.064032 0.152810
C -2.280123 -1.150601 1.845517
C -3.477119 -0.935003 1.137178
C 0.051311 2.853647 0.224144
H 3.741328 1.506841 0.245023
H 4.304487 -0.109810 0.817011
H 2.897743 -3.121043 -0.523501
H 2.567218 -3.550916 1.190869
H -0.234318 -0.483204 2.093135
H 6.238676 1.234384 -0.162125
H 5.918194 -0.235130 -1.138932
H 5.348883 1.363089 -1.712538
H 1.111543 -4.923384 -0.376190
H 0.105126 -3.846197 0.640489
H 0.430803 -3.415289 -1.068884
H -4.515949 0.200398 -0.401271
H -2.211501 -1.934506 2.604119
H -0.828976 3.493681 0.248499


