%chk=000207604.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207604

0 1
Br 0.248187 1.656555 0.720359
S -5.255963 0.792097 0.145427
O 1.065881 0.311433 -2.034850
O 0.292885 -2.842774 1.246374
O -5.273994 2.236757 0.078440
O -6.100675 -0.017647 -0.706428
N 0.372047 -1.092325 -0.296476
N -5.690291 0.389500 1.757637
C 2.705221 -1.117166 -0.852665
C 2.398577 -2.271629 0.121980
C 1.343605 -0.483081 -1.184172
C 0.929124 -2.170896 0.479928
C 3.629033 -0.067269 -0.285406
C -1.004352 -0.686200 -0.206480
C 4.684216 0.415985 -1.072710
C 3.433743 0.442460 1.007345
C -1.262503 0.623488 0.246662
C -2.059684 -1.544654 -0.535434
C -3.621335 0.233101 0.013916
C -2.568093 1.094356 0.346436
C -3.371422 -1.071533 -0.421351
C 5.539792 1.398941 -0.566292
C 4.291374 1.425321 1.506967
C 5.345779 1.904625 0.722548
H 3.132017 -1.528082 -1.803605
H 3.025425 -2.233679 1.037680
H 2.615539 -3.260762 -0.328625
H 4.838091 0.037306 -2.082311
H 2.613889 0.077555 1.626133
H -1.863281 -2.564630 -0.867120
H -2.766553 2.123451 0.674814
H -4.206121 -1.732251 -0.690083
H 6.357421 1.773677 -1.181440
H 4.136403 1.820220 2.510648
H 6.012044 2.672015 1.113970
H -5.842877 1.145285 2.421689
H -6.392252 -0.332251 1.904797


%chk=000207604-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207604

0 1
Br -0.117003 1.909383 1.313217
S -5.535055 0.682010 0.058566
O 1.079932 0.671917 -1.700184
O 0.183109 -2.842543 1.285160
O -5.589690 2.306177 0.144972
O -6.295301 -0.198257 -1.080082
N 0.344259 -0.930180 -0.111884
N -6.107862 0.053842 1.684293
C 2.671019 -1.011556 -0.735411
C 2.354419 -2.161526 0.258020
C 1.320728 -0.283613 -0.939416
C 0.862556 -2.075075 0.571073
C 3.777478 -0.049789 -0.300277
C -1.031904 -0.534568 -0.046310
C 4.828408 0.274855 -1.190933
C 3.763351 0.541291 0.989731
C -1.424283 0.708196 0.517190
C -2.017179 -1.413038 -0.557535
C -3.716199 0.177124 0.029425
C -2.782680 1.085317 0.546072
C -3.381888 -1.068175 -0.521045
C 5.854235 1.165364 -0.800793
C 4.786605 1.430691 1.381278
C 5.837452 1.744835 0.487693
H 2.944472 -1.420627 -1.725546
H 2.922032 -2.071952 1.199904
H 2.576850 -3.160086 -0.154980
H 4.842824 -0.165266 -2.195361
H 2.949490 0.316453 1.690858
H -1.700222 -2.369440 -0.982606
H -3.102542 2.053207 0.943195
H -4.154306 -1.725028 -0.931087
H 6.661909 1.405961 -1.500692
H 4.763194 1.882156 2.379416
H 6.631209 2.435714 0.792051
H -6.434037 0.855952 2.247871
H -6.834480 -0.662429 1.522457


