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	hartrees
Energy at 0K	-2708.342010
Energy at 298.15K	-2708.347538
HF Energy	-2708.342010
Nuclear repulsion energy	165.965795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3329	2991	25.65
2	A'	1661	1493	1.35
3	A'	1490	1339	109.18
4	A'	1224	1099	207.42
5	A'	688	619	87.64
6	A'	335	301	0.53
7	A"	3418	3071	11.50
8	A"	1380	1240	4.88
9	A"	1033	928	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.511	-1.119	0.000
F2	-0.581	-1.897	0.000
Br3	0.000	0.753	0.000
H4	1.081	-1.290	0.894
H5	1.081	-1.290	-0.894

	C1	F2	Br3	H4	H5
C1		1.3402	1.9409	1.0742	1.0742
F2	1.3402		2.7134	1.9824	1.9824
Br3	1.9409	2.7134		2.4787	2.4787
H4	1.0742	1.9824	2.4787		1.7879
H5	1.0742	1.9824	2.4787	1.7879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.231	F2	C1	H4	109.893
F2	C1	H5	109.893	Br3	C1	H4	107.050
Br3	C1	H5	107.050	H4	C1	H5	112.642

All results from a given calculation for CH₂BrF (Methane, bromofluoro-)

using model chemistry: HF/6-31G*

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	0.104
2	F	-0.353
3	Br	-0.167
4	H	0.208
5	H	0.208

	x	y	z	Total
	1.882	-0.833	0.000	2.058
CHELPG
AIM
ESP

	x	y	z
x	3.327	-0.484	0.000
y	-0.484	5.261	0.000
z	0.000	0.000	3.204

<r²>	89.950
(<r²>)^1/2	9.484

All results from a given calculation for CH2BrF (Methane, bromofluoro-)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for CH₂BrF (Methane, bromofluoro-)