%chk=000241961.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241961

0 1
Br -4.237386 -2.598117 0.641002
O -1.889196 1.342696 0.543327
O -1.443953 2.461839 -1.384085
O -0.696490 -2.264104 0.202813
O -1.543359 -1.061063 -1.491275
O 5.037839 0.232853 0.651672
O 4.243326 -1.758591 0.343657
N 4.135651 -0.547784 0.406439
C 0.268327 1.115162 -0.280363
C -3.958449 0.221689 0.080805
C -3.333258 1.569479 0.429459
C 0.444245 -0.279835 -0.320415
C 1.353385 1.962777 -0.032537
C 1.709090 -0.831068 -0.086787
C -1.085563 1.728295 -0.501656
C 2.787190 0.029963 0.162061
C 2.623093 1.422089 0.186970
C -3.754817 -0.774023 1.210907
C -0.699922 -1.182632 -0.635558
H -3.500662 -0.161264 -0.866418
H -5.036089 0.348308 -0.151222
H -3.535379 2.343837 -0.333948
H -3.594480 1.940310 1.436008
H 1.211007 3.047786 -0.015498
H 1.857062 -1.921639 -0.091210
H 3.486897 2.072274 0.379739
H -4.378468 -0.544157 2.091324
H -2.695875 -0.812304 1.532011
H -1.467165 -2.887974 0.027779


%chk=000241961-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241961

0 1
Br -5.053651 -2.441394 0.890673
O -1.927682 1.161989 0.510939
O -1.319551 2.573906 -1.257734
O -0.282193 -2.590109 -0.187223
O -1.546218 -1.010425 -1.327380
O 5.218621 0.408121 0.632500
O 4.439615 -1.728560 0.444544
N 4.276261 -0.450014 0.435018
C 0.320286 1.060340 -0.270060
C -4.194013 0.277882 0.137825
C -3.370892 1.550287 0.399069
C 0.557577 -0.345545 -0.275771
C 1.401947 1.953138 -0.080823
C 1.859105 -0.839655 -0.033534
C -1.048390 1.667894 -0.440266
C 2.906266 0.074825 0.180560
C 2.704494 1.470313 0.147427
C -4.092518 -0.700304 1.311687
C -0.533196 -1.297872 -0.649743
H -3.830897 -0.200151 -0.787391
H -5.248525 0.572535 -0.021897
H -3.478886 2.279664 -0.422136
H -3.621263 2.027499 1.362546
H 1.210638 3.029764 -0.107154
H 2.055136 -1.914109 -0.024996
H 3.551634 2.143353 0.301589
H -4.580445 -0.328120 2.226281
H -3.053714 -0.991893 1.522428
H -1.012945 -3.198557 -0.481977


