%chk=000186741.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186741

0 1
Br -5.706991 0.633762 -0.701414
S 0.833286 2.492392 0.751793
O 0.460063 -2.442087 -0.220339
N 2.455826 0.331165 0.754946
N 0.316571 -0.121359 0.129601
C 2.475187 -1.103922 0.323858
C 3.341217 -1.338547 -0.921759
C 4.714307 -0.674710 -0.761001
C 3.741002 1.068221 0.801141
C 4.571422 0.823792 -0.467508
C 0.986418 -1.394411 0.031655
C 1.220454 0.915603 0.514386
C -1.105492 0.068370 -0.061769
C -1.990267 -0.849268 0.523934
C -1.573317 1.134808 -0.845092
C -3.373614 -0.701047 0.342169
C -2.950250 1.288658 -1.017766
C -3.833220 0.380359 -0.430257
C -4.320138 -1.671629 0.959540
H 2.829106 -1.731113 1.182319
H 2.836987 -0.938814 -1.825950
H 3.450552 -2.428207 -1.095100
H 5.308411 -0.823135 -1.684333
H 5.285745 -1.169095 0.049006
H 4.287629 0.716028 1.706700
H 3.544003 2.158684 0.943436
H 5.569272 1.288985 -0.348909
H 4.101978 1.337326 -1.331151
H -1.607637 -1.686740 1.108852
H -0.884509 1.843818 -1.307200
H -3.326346 2.122509 -1.615405
H -4.940622 -2.168085 0.195560
H -3.812995 -2.464019 1.525437
H -5.013238 -1.169391 1.654017


%chk=000186741-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186741

0 1
Br -5.824765 0.577510 -0.694136
S 0.837551 2.607503 0.825779
O 0.439107 -2.391338 -0.404703
N 2.456174 0.395640 0.542796
N 0.293365 -0.059301 0.113340
C 2.441105 -1.037859 0.202882
C 3.383402 -1.337773 -0.990539
C 4.784775 -0.749046 -0.695431
C 3.738308 1.073303 0.770308
C 4.704587 0.770932 -0.401957
C 0.958604 -1.300710 -0.072626
C 1.213516 0.983477 0.490502
C -1.126695 0.109395 -0.061898
C -2.006278 -0.814616 0.544319
C -1.632350 1.161039 -0.857676
C -3.410894 -0.719706 0.379227
C -3.026093 1.285577 -1.026561
C -3.888577 0.354417 -0.414365
C -4.328439 -1.729293 1.035492
H 2.763138 -1.642116 1.077128
H 2.965566 -0.880060 -1.907507
H 3.423159 -2.429576 -1.150657
H 5.454978 -0.933718 -1.554894
H 5.230554 -1.271965 0.176164
H 4.173145 0.715394 1.726116
H 3.529963 2.152323 0.870062
H 5.705459 1.169142 -0.151958
H 4.352079 1.304084 -1.305928
H -1.600225 -1.633383 1.145257
H -0.954483 1.878318 -1.325205
H -3.433635 2.098399 -1.633584
H -4.939432 -2.261558 0.283331
H -3.750199 -2.477826 1.601594
H -5.035671 -1.237707 1.728728


