%chk=000186940.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186940

0 1
Br 5.324837 0.830030 -0.525164
Cl 0.865569 -0.538382 2.412419
Cl -2.142200 4.703993 2.325606
Cl 3.670531 -0.372342 -3.125960
S -1.591145 -0.730576 -2.657678
P -1.608248 -0.763734 -0.749644
O -0.243620 -1.529225 -0.073197
O -2.704198 -1.715158 0.010994
C -1.760523 0.824962 0.125446
C -1.918709 0.806544 1.514675
C -1.725402 2.020421 -0.595761
C 0.982672 -0.938467 -0.260590
C -2.866466 -3.076379 -0.530280
C -2.039326 2.016568 2.205951
C -1.842910 3.234807 0.089656
C 1.643006 -0.459550 0.892109
C 1.624880 -0.917109 -1.503712
C -1.997085 3.209056 1.478200
C -3.974456 -3.637577 0.337415
C 2.918770 -0.388823 -1.585555
C 2.934239 0.057605 0.799286
C 3.572801 0.101294 -0.447382
H -1.953706 -0.134262 2.076931
H -1.609399 2.039620 -1.687051
H -3.156375 -3.021626 -1.597842
H -1.912189 -3.622699 -0.403246
H -2.161917 2.029634 3.288896
H -1.815785 4.182018 -0.449690
H 1.132992 -1.314189 -2.400883
H -4.225870 -4.665145 0.048426
H -3.688283 -3.642430 1.398645
H -4.887457 -3.029717 0.261095
H 3.439770 0.425439 1.698586


%chk=000186940-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186940

0 1
Br 5.849414 -0.336741 -1.251053
Cl 1.457850 0.764522 2.127054
Cl -3.219002 4.815442 2.787090
Cl 3.704043 -2.195814 -3.116169
S -1.236350 -0.170908 -2.661376
P -1.525117 -0.377341 -0.630090
O -0.097011 -1.072248 0.253482
O -2.655737 -1.538780 -0.045919
C -2.028432 1.098777 0.342161
C -2.436455 0.944761 1.689001
C -1.982857 2.374167 -0.264559
C 1.224342 -0.861713 -0.142961
C -2.591396 -2.929543 -0.591681
C -2.803950 2.081672 2.437317
C -2.346923 3.515754 0.480957
C 2.091948 -0.070267 0.652451
C 1.746419 -1.498304 -1.293676
C -2.749653 3.349140 1.820939
C -3.767866 -3.681177 0.022195
C 3.104734 -1.349979 -1.633652
C 3.450915 0.072034 0.321253
C 3.964155 -0.567554 -0.829918
H -2.473586 -0.047970 2.145746
H -1.673843 2.475067 -1.311065
H -2.661167 -2.877844 -1.695258
H -1.619719 -3.371590 -0.303189
H -3.123499 1.984780 3.478347
H -2.318464 4.510395 0.028066
H 1.082890 -2.101985 -1.917414
H -3.775073 -4.723588 -0.345992
H -3.689218 -3.701118 1.122269
H -4.723442 -3.205264 -0.254649
H 4.106846 0.677818 0.950995


