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	hartrees
Energy at 0K	-5282.843919
Energy at 298.15K
HF Energy	-5282.843919
Nuclear repulsion energy	484.787529

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'	3337	3037	0.85	69.37	0.23	0.37
2	A'	1460	1329	22.32	4.87	0.46	0.63
3	A'	1234	1123	205.09	4.59	0.52	0.68
4	A'	675	614	26.03	16.41	0.11	0.20
5	A'	391	356	0.46	6.42	0.15	0.26
6	A'	185	168	0.01	3.31	0.44	0.61
7	A"	1320	1201	113.28	2.64	0.75	0.86
8	A"	789	718	202.29	9.82	0.75	0.86
9	A"	328	298	0.11	2.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.100	0.781	0.000
H2	-0.997	1.368	0.000
F3	0.958	1.571	0.000
Br4	-0.100	-0.288	1.600
Br5	-0.100	-0.288	-1.600

	C1	H2	F3	Br4	Br5
C1		1.0715	1.3205	1.9249	1.9249
H2	1.0715		1.9657	2.4714	2.4714
F3	1.3205	1.9657		2.6717	2.6717
Br4	1.9249	2.4714	2.6717		3.2008
Br5	1.9249	2.4714	2.6717	3.2008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.094	H2	C1	Br4	107.704
H2	C1	Br5	107.704	F3	C1	Br4	109.407
F3	C1	Br5	109.407	Br4	C1	Br5	112.487

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: HF/cc-pVTZ

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	0.252
2	H	0.124
3	F	-0.200
4	Br	-0.088
5	Br	-0.088

	x	y	z	Total
	-1.196	0.540	0.000	1.313
CHELPG
AIM
ESP

	x	y	z
x	5.077	0.134	0.000
y	0.134	6.101	0.000
z	0.000	0.000	9.527

<r²>	252.581
(<r²>)^1/2	15.893

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: HF/cc-pVTZ

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)