%chk=000001912.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001912

-1 1
Br 2.196517 3.362805 1.240464
P -2.531324 -1.365442 1.340469
O -1.064678 1.363114 -1.577887
O -1.493680 0.147741 1.388974
O -1.726528 3.682364 0.352720
O -2.164199 -1.647945 -0.393916
O -4.058107 -0.851138 1.464756
O -1.821680 -2.491245 2.212184
N 0.985381 1.175645 -0.288358
N 2.959380 0.624152 0.778836
N 0.646225 -0.993140 -1.530182
N 2.394338 -2.646630 -0.993507
N 4.175201 -2.177873 0.494282
C -2.120749 1.212584 0.622639
C -2.320423 0.875687 -0.886984
C -1.103584 2.368524 0.595567
C -0.205447 2.027417 -0.633785
C -2.670809 -0.587980 -1.265597
C 1.285790 -0.155532 -0.667509
C 2.039355 1.561608 0.555064
C 2.492798 -0.467744 0.023812
C 3.029898 -1.772902 -0.151802
C 1.258637 -2.204054 -1.627723
H -3.087374 1.504260 1.081543
H -3.128115 1.513741 -1.308138
H -0.562280 2.441324 1.546979
H 0.175532 2.959156 -1.090305
H -3.778588 -0.650875 -1.308701
H -2.234717 -0.794751 -2.258025
H -2.591671 3.542443 -0.109314
H 0.779509 -2.929231 -2.291990
H 4.479646 -3.141845 0.383720
H 4.612947 -1.559439 1.172612


%chk=000001912-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000001912

-1 1
Br 1.972553 3.110203 1.694360
P -2.067086 -1.284476 1.576242
O -1.149879 1.434018 -1.587715
O -1.412244 0.419061 1.552422
O -1.918197 3.746014 0.049373
O -1.603785 -1.560586 -0.144003
O -3.674445 -1.165812 1.656821
O -1.114533 -2.155464 2.507963
N 0.880012 1.202939 -0.264614
N 2.636289 0.407484 1.007110
N 0.741077 -0.730958 -1.887633
N 2.313719 -2.538260 -1.306352
N 3.759289 -2.407707 0.564930
C -2.133454 1.311606 0.655809
C -2.300051 0.799706 -0.812173
C -1.206325 2.536065 0.492983
C -0.254980 2.098859 -0.665545
C -2.394578 -0.725459 -1.048964
C 1.217803 -0.070635 -0.793447
C 1.794757 1.412823 0.783497
C 2.272623 -0.542397 0.037223
C 2.788890 -1.840829 -0.226809
C 1.342666 -1.938419 -2.067501
H -3.115468 1.595137 1.079526
H -3.203261 1.256570 -1.266195
H -0.728813 2.801769 1.441018
H 0.159705 2.982699 -1.183232
H -3.466131 -1.001971 -0.962779
H -2.014567 -0.942158 -2.061562
H -2.329276 3.548170 -0.832981
H 1.003116 -2.517037 -2.932672
H 4.024677 -3.373254 0.386291
H 4.027098 -1.942902 1.429508


