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	hartrees
Energy at 0K	-2811.835092
Energy at 298.15K	-2811.830065
HF Energy	-2812.256350
Nuclear repulsion energy	255.885108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3037	21.72
2	A'	1305	1253	107.47
3	A'	1132	1087	261.52
4	A'	691	664	122.18
5	A'	572	550	8.51
6	A'	305	293	1.15
7	A"	1402	1347	30.03
8	A"	1178	1131	188.67
9	A"	307	295	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	-0.427	-0.931	0.000
H2	-1.515	-0.985	0.000
Br3	0.077	0.972	0.000
F4	0.077	-1.524	1.091
F5	0.077	-1.524	-1.091

	C1	H2	Br3	F4	F5
C1		1.0897	1.9688	1.3404	1.3404
H2	1.0897		2.5231	2.0042	2.0042
Br3	1.9688	2.5231		2.7243	2.7243
F4	1.3404	2.0042	2.7243		2.1828
F5	1.3404	2.0042	2.7243	2.1828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.770	H2	C1	F4	110.274
H2	C1	F5	110.274	Br3	C1	F4	109.499
Br3	C1	F5	109.499	F4	C1	F5	109.500

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

using model chemistry: G3B3

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	0.415
2	H	0.177
3	Br	-0.124
4	F	-0.234
5	F	-0.234

	x	y	z	Total
	-1.343	-0.332	0.000	1.384
CHELPG
AIM
ESP

<r²>	127.031
(<r²>)^1/2	11.271

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

using model chemistry: G3B3

States and conformations

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