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	hartrees
Energy at 0K	-2710.992697
Energy at 298.15K	-2710.998065
HF Energy	-2710.992697
Nuclear repulsion energy	163.496356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2993	2977	19.15
2	A'	1464	1456	0.27
3	A'	1295	1288	46.11
4	A'	1059	1053	153.71
5	A'	593	590	64.27
6	A'	294	292	0.47
7	A"	3068	3052	11.84
8	A"	1210	1203	2.41
9	A"	918	913	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.519	-1.133	0.000
F2	-0.592	-1.925	0.000
Br3	0.000	0.764	0.000
H4	1.106	-1.302	0.913
H5	1.106	-1.302	-0.913

	C1	F2	Br3	H4	H5
C1		1.3642	1.9666	1.0980	1.0980
F2	1.3642		2.7536	2.0255	2.0255
Br3	1.9666	2.7536		2.5143	2.5143
H4	1.0980	2.0255	2.5143		1.8254
H5	1.0980	2.0255	2.5143	1.8254

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.205	F2	C1	H4	110.228
F2	C1	H5	110.228	Br3	C1	H4	106.805
Br3	C1	H5	106.805	H4	C1	H5	112.451

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.191
2	F	-0.058
3	Br	-0.032
4	H	0.140
5	H	0.140

	x	y	z	Total
	1.393	-0.869	0.000	1.641
CHELPG
AIM
ESP

	x	y	z
x	4.327	-0.365	0.000
y	-0.365	6.285	0.000
z	0.000	0.000	4.147

<r²>	91.849
(<r²>)^1/2	9.584

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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