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	hartrees
Energy at 0K	-2710.860586
Energy at 298.15K	-2710.866130
HF Energy	-2710.860586
Nuclear repulsion energy	166.247435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3305	2989	31.10
2	A'	1650	1492	0.84
3	A'	1492	1349	107.97
4	A'	1209	1093	238.62
5	A'	695	629	89.85
6	A'	341	308	0.62
7	A"	3391	3067	13.72
8	A"	1388	1255	6.66
9	A"	1038	939	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.509	-1.117	0.000
F2	-0.579	-1.894	0.000
Br3	0.000	0.752	0.000
H4	1.078	-1.294	0.894
H5	1.078	-1.294	-0.894

	C1	F2	Br3	H4	H5
C1		1.3365	1.9374	1.0745	1.0745
F2	1.3365		2.7085	1.9759	1.9759
Br3	1.9374	2.7085		2.4797	2.4797
H4	1.0745	1.9759	2.4797		1.7880
H5	1.0745	1.9759	2.4797	1.7880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.296	F2	C1	H4	109.600
F2	C1	H5	109.600	Br3	C1	H4	107.343
Br3	C1	H5	107.343	H4	C1	H5	112.609

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

using model chemistry: HF/6-311G*

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	-0.109
2	F	-0.288
3	Br	-0.091
4	H	0.244
5	H	0.244

	x	y	z	Total
	1.987	-0.768	0.000	2.130
CHELPG
AIM
ESP

	x	y	z
x	3.005	-0.570	0.000
y	-0.570	5.310	0.000
z	0.000	0.000	2.814

<r²>	89.941
(<r²>)^1/2	9.484

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

using model chemistry: HF/6-311G*

States and conformations

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