%chk=000291494.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291494

0 1
Br -2.039470 5.666667 0.858953
S -3.128862 0.076826 -0.363313
S 3.093979 0.920089 0.332950
O -3.587091 0.227611 -1.722171
O -3.786252 0.818344 0.699513
O 3.496771 1.213195 1.686115
O 3.531609 1.793081 -0.744567
N -1.465444 0.558580 -0.351232
N 1.362653 0.940712 0.318893
C -0.942411 1.660353 0.027844
C 0.571277 1.862832 -0.077036
C -3.023011 -1.587428 0.068339
C 3.437441 -0.718750 -0.070529
C -1.660227 2.868295 0.519966
C 0.947311 3.209344 -0.585213
C -3.402614 -1.995858 1.352179
C -2.567160 -2.525512 -0.863566
C 3.926386 -1.031166 -1.344333
C 3.235316 -1.730140 0.874213
C -1.141861 4.085131 0.298325
C 0.145629 4.266818 -0.385809
C -3.327636 -3.345889 1.704219
C -2.491263 -3.876816 -0.511238
C 4.215533 -2.357864 -1.673361
C 3.523913 -3.058390 0.544869
C -2.871177 -4.284855 0.771726
C 4.013143 -3.370261 -0.727962
H -2.625428 2.692280 1.024768
H 1.923319 3.284095 -1.091069
H -3.764498 -1.258958 2.079588
H -2.273749 -2.208048 -1.869684
H 4.088383 -0.235681 -2.081848
H 2.856325 -1.487052 1.872432
H 0.415547 5.273986 -0.715901
H -3.624795 -3.665914 2.701996
H -2.138088 -4.608731 -1.236123
H 4.598256 -2.602651 -2.663241
H 3.368513 -3.846865 1.279805
H -2.812947 -5.339022 1.046588
H 4.239177 -4.406189 -0.984887


%chk=000291494-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291494

0 1
Br -2.299649 5.719946 0.355334
S -3.278485 0.123858 -0.365188
S 3.240826 0.999656 0.320096
O -3.694536 0.238414 -1.932528
O -4.113341 0.944602 0.780947
O 3.621569 1.255596 1.879812
O 3.819116 1.986904 -0.852640
N -1.338297 0.455075 -0.301979
N 1.272236 0.801859 0.272364
C -0.949561 1.691872 -0.020969
C 0.574146 1.891184 -0.008207
C -3.230365 -1.688263 0.134275
C 3.670736 -0.770532 -0.144610
C -1.784755 2.877490 0.209474
C 1.067486 3.259026 -0.230380
C -3.481325 -2.006217 1.478105
C -2.980638 -2.635384 -0.871277
C 3.988397 -1.037654 -1.485417
C 3.688224 -1.729359 0.880629
C -1.209098 4.120972 0.131303
C 0.209601 4.327304 -0.142627
C -3.471960 -3.374845 1.834159
C -2.975707 -3.997506 -0.492477
C 4.342483 -2.366155 -1.816549
C 4.044618 -3.050913 0.526475
C -3.215893 -4.362352 0.853761
C 4.365664 -3.365819 -0.815500
H -2.853633 2.733009 0.398546
H 2.135792 3.400745 -0.424986
H -3.695459 -1.218632 2.207518
H -2.814989 -2.321224 -1.906433
H 3.979356 -0.236765 -2.231507
H 3.450808 -1.450221 1.911867
H 0.582945 5.349050 -0.259289
H -3.666517 -3.664866 2.871684
H -2.786152 -4.767876 -1.246835
H 4.600550 -2.615103 -2.850884
H 4.071689 -3.828417 1.296634
H -3.211376 -5.420186 1.138001
H 4.641989 -4.392077 -1.080506


