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	hartrees
Energy at 0K	-66.840239
Energy at 298.15K	-66.845232
HF Energy	-66.840239
Nuclear repulsion energy	66.780199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3442	3102	18.54
2	A'	1418	1278	134.23
3	A'	1135	1023	288.17
4	A'	756	681	109.68
5	A'	568	512	13.62
6	A'	334	301	2.65
7	A"	1460	1316	20.93
8	A"	1183	1066	241.88
9	A"	321	289	1.72

Atom	x (Å)	y (Å)	z (Å)
C1	-0.441	-0.905	0.000
H2	-1.514	-1.003	0.000
Br3	0.079	0.974	0.000
F4	0.079	-1.536	1.110
F5	0.079	-1.536	-1.110

	C1	H2	Br3	F4	F5
C1		1.0768	1.9495	1.3785	1.3785
H2	1.0768		2.5381	2.0128	2.0128
Br3	1.9495	2.5381		2.7446	2.7446
F4	1.3785	2.0128	2.7446		2.2196
F5	1.3785	2.0128	2.7446	2.2196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	110.662	H2	C1	F4	109.514
H2	C1	F5	109.514	Br3	C1	F4	109.925
Br3	C1	F5	109.925	F4	C1	F5	107.235

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)

using model chemistry: HF/CEP-31G

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	0.077
2	H	0.235
3	Br	0.154
4	F	-0.233
5	F	-0.233

	x	y	z	Total
	-2.178	0.919	0.000	2.364
CHELPG
AIM
ESP

	x	y	z
x	1.976	0.708	0.000
y	0.708	5.322	0.000
z	0.000	0.000	2.130

<r²>	84.483
(<r²>)^1/2	9.191

All results from a given calculation for CHBrF2 (Methane, bromodifluoro-)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)