%chk=000299409.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299409

0 1
Br -2.482806 1.245666 -0.617145
O 5.137999 0.669761 0.605019
O -1.381985 -1.746423 1.120590
N 2.565874 0.039453 -0.469737
N -0.949783 -1.156457 -1.068579
N -3.200904 -1.451245 -0.297241
C 2.947647 -0.380066 0.920129
C 3.250915 1.329567 -0.813277
C 1.079280 0.169256 -0.599357
C 4.472440 -0.555726 0.976909
C 4.770270 1.112789 -0.716669
C 0.520190 -1.241957 -0.893704
C -1.793115 -1.475523 0.006746
C -4.043522 -0.739810 0.685478
C -3.976671 0.755392 0.501479
C -4.790451 1.659611 1.022223
H 2.444155 -1.344519 1.148362
H 2.622073 0.346585 1.696010
H 2.948943 2.170210 -0.152262
H 2.977840 1.607608 -1.852946
H 0.584837 0.591904 0.303248
H 0.830601 0.851980 -1.438467
H 4.836499 -0.719773 2.006015
H 4.817582 -1.366585 0.311735
H 5.124350 0.371704 -1.454939
H 5.333718 2.056580 -0.816331
H 0.989025 -1.664406 -1.807928
H 0.762972 -1.934252 -0.051682
H -1.292396 -1.023792 -2.011867
H -3.483450 -1.294408 -1.267350
H -5.092012 -1.107354 0.585756
H -3.702767 -1.008956 1.722160
H -4.690554 2.728550 0.874758
H -5.634594 1.403438 1.653664


%chk=000299409-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299409

0 1
Br -3.753251 2.477774 0.756333
O 5.484334 0.385570 0.543542
O -1.232976 -1.016222 1.284953
N 2.824463 -0.034504 -0.556959
N -0.853566 -0.911681 -1.021910
N -3.028689 -0.618262 -0.164554
C 3.129558 -0.338039 0.868033
C 3.692984 1.072687 -1.034963
C 1.383234 0.208807 -0.796074
C 4.614153 -0.704052 1.019915
C 5.171725 0.686361 -0.863020
C 0.594243 -1.122419 -0.882918
C -1.673142 -0.854194 0.103364
C -3.984643 -0.455139 0.928403
C -4.816062 0.809223 0.829626
C -6.166142 0.876462 0.813598
H 2.507132 -1.183974 1.210771
H 2.897411 0.538873 1.522842
H 3.498163 2.022531 -0.475720
H 3.485278 1.257086 -2.106385
H 0.920999 0.845046 -0.002799
H 1.279759 0.753025 -1.755212
H 4.880920 -0.850912 2.079501
H 4.829690 -1.631713 0.446749
H 5.397279 -0.200434 -1.494622
H 5.837057 1.520535 -1.141540
H 0.968955 -1.717480 -1.734896
H 0.744616 -1.708463 0.038418
H -1.226005 -0.673164 -1.941651
H -3.367043 -0.534647 -1.123596
H -4.690114 -1.310262 0.980871
H -3.382294 -0.461774 1.856812
H -6.712188 1.822082 0.781966
H -6.753638 -0.049926 0.841923


