%chk=000184015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184015

0 1
Br -2.512695 -2.483227 -1.412546
S -3.275099 2.556420 0.603928
O -0.790575 -2.891264 1.828796
N -1.520187 0.498754 1.141312
N -3.001367 0.039719 -0.523311
N 2.042490 -0.001048 0.732605
N 3.125723 0.064641 -1.872457
C -0.202874 -1.704468 1.292793
C -1.251638 -0.811008 0.711253
C 0.855094 -2.104749 0.242990
C 1.742854 -0.972847 -0.172896
C -2.178105 -1.043442 -0.317502
C -2.591066 0.977302 0.375110
C -0.826043 1.212737 2.215778
C 2.290571 -0.925268 -1.483443
C 3.430095 1.034546 -0.964114
C 2.875867 0.992928 0.341102
C -3.989600 2.910900 -1.013029
C 4.350687 2.126571 -1.385319
H 0.283972 -1.258613 2.198508
H 0.360691 -2.558294 -0.642553
H 1.479734 -2.919372 0.680614
H -1.313037 1.026507 3.191671
H 0.233742 0.889347 2.285850
H -0.825912 2.303912 2.030352
H -1.406783 -3.315952 1.192377
H 2.053963 -1.689336 -2.233419
H 3.105132 1.763433 1.083816
H -3.217640 3.089763 -1.771128
H -4.618036 3.805322 -0.920274
H -4.617574 2.077188 -1.368011
H 4.691566 1.995705 -2.427430
H 3.861034 3.109659 -1.330255
H 5.251014 2.160933 -0.755067


%chk=000184015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184015

0 1
Br -2.341920 -2.442598 -1.576982
S -3.136950 2.768985 0.590923
O -0.930500 -2.910331 1.807855
N -1.492219 0.547908 1.122670
N -2.884044 0.254060 -0.650188
N 2.023628 0.021761 0.724368
N 3.215507 -0.005642 -1.857852
C -0.255974 -1.713662 1.255739
C -1.231214 -0.753926 0.625062
C 0.891543 -2.148475 0.304199
C 1.775152 -1.006520 -0.152805
C -2.110545 -0.875485 -0.456532
C -2.485541 1.103105 0.322566
C -0.832415 1.184632 2.272749
C 2.369370 -0.990745 -1.441077
C 3.478642 1.010984 -0.975045
C 2.862600 1.010682 0.306225
C -4.192134 2.889292 -0.964592
C 4.420565 2.106509 -1.416625
H 0.200246 -1.243499 2.139722
H 0.480510 -2.673394 -0.577437
H 1.499878 -2.886142 0.864001
H -1.234363 0.794441 3.224302
H 0.253403 0.999273 2.218649
H -1.011992 2.271464 2.229560
H -1.475850 -3.323333 1.087689
H 2.159615 -1.788026 -2.162875
H 3.048813 1.826599 1.013898
H -3.549003 2.806080 -1.851412
H -4.676559 3.876282 -0.913357
H -4.933731 2.079408 -0.959970
H 4.774316 1.893937 -2.437182
H 3.920846 3.092947 -1.414432
H 5.296316 2.180828 -0.745713


