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	hartrees
Energy at 0K	-5261.825175
Energy at 298.15K
HF Energy	-5261.825175
Nuclear repulsion energy	471.890944

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'	3074	3054	8.17	82.96	0.29	0.45
2	A'	1280	1272	15.00	7.95	0.75	0.86
3	A'	1052	1045	122.76	1.44	0.52	0.69
4	A'	588	585	23.15	10.38	0.10	0.19
5	A'	323	321	0.81	5.79	0.22	0.36
6	A'	157	156	0.01	5.00	0.48	0.64
7	A"	1162	1154	74.08	5.20	0.75	0.86
8	A"	618	614	217.26	3.45	0.75	0.86
9	A"	260	258	0.34	2.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.105	0.825	0.000
H2	-1.045	1.384	0.000
F3	1.000	1.671	0.000
Br4	-0.105	-0.305	1.624
Br5	-0.105	-0.305	-1.624

	C1	H2	F3	Br4	Br5
C1		1.0939	1.3912	1.9790	1.9790
H2	1.0939		2.0646	2.5254	2.5254
F3	1.3912	2.0646		2.7864	2.7864
Br4	1.9790	2.5254	2.7864		3.2490
Br5	1.9790	2.5254	2.7864	3.2490

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	111.803	H2	C1	Br4	106.980
H2	C1	Br5	106.980	F3	C1	Br4	110.320
F3	C1	Br5	110.320	Br4	C1	Br5	110.340

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: BLYP/3-21G*

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	-0.016
2	H	0.256
3	F	-0.209
4	Br	-0.016
5	Br	-0.016

	x	y	z	Total
	-1.078	0.469	0.000	1.175
CHELPG
AIM
ESP

	x	y	z
x	4.165	0.249	0.000
y	0.249	5.388	0.000
z	0.000	0.000	8.880

<r²>	262.094
(<r²>)^1/2	16.189

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)