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	hartrees
Energy at 0K	-164.848149
Energy at 298.15K
HF Energy	-164.848149
Nuclear repulsion energy	82.066196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3218	3093	4.97	102.86	0.20	0.33
2	A'	1287	1237	16.75	8.50	0.71	0.83
3	A'	994	955	204.22	2.53	0.43	0.60
4	A'	575	552	28.19	14.90	0.21	0.34
5	A'	326	314	1.02	8.72	0.31	0.47
6	A'	162	156	0.00	9.42	0.57	0.73
7	A"	1191	1145	81.60	3.11	0.75	0.86
8	A"	637	613	216.09	8.07	0.75	0.86
9	A"	272	261	0.03	4.89	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.108	0.806	0.000
H2	-1.010	1.414	0.000
F3	1.024	1.645	0.000
Br4	-0.108	-0.301	1.675
Br5	-0.108	-0.301	-1.675

	C1	H2	F3	Br4	Br5
C1		1.0877	1.4087	2.0077	2.0077
H2	1.0877		2.0464	2.5611	2.5611
F3	1.4087	2.0464		2.8058	2.8058
Br4	2.0077	2.5611	2.8058		3.3508
Br5	2.0077	2.5611	2.8058	3.3508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.442	H2	C1	Br4	107.942
H2	C1	Br5	107.942	F3	C1	Br4	109.165
F3	C1	Br5	109.165	Br4	C1	Br5	113.124

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: B3LYP/LANL2DZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.255
2	H	0.323
3	F	-0.187
4	Br	0.059
5	Br	0.059

	x	y	z	Total
	-1.696	0.253	0.000	1.715
CHELPG
AIM
ESP

	x	y	z
x	2.207	0.321	0.000
y	0.321	4.184	0.000
z	0.000	0.000	8.947

<r²>	107.540
(<r²>)^1/2	10.370

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)