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	hartrees
Energy at 0K	-2713.297729
Energy at 298.15K	-2713.303066
HF Energy	-2713.297729
Nuclear repulsion energy	161.181184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3015	3008	22.88
2	A'	1468	1464	0.35
3	A'	1297	1294	60.07
4	A'	1029	1027	197.11
5	A'	572	570	78.36
6	A'	285	284	0.99
7	A"	3100	3092	14.29
8	A"	1218	1215	3.08
9	A"	906	904	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.520	-1.155	0.000
F2	-0.591	-1.962	0.000
Br3	0.000	0.778	0.000
H4	1.097	-1.317	0.916
H5	1.097	-1.317	-0.916

	C1	F2	Br3	H4	H5
C1		1.3732	2.0021	1.0940	1.0940
F2	1.3732		2.8034	2.0255	2.0255
Br3	2.0021	2.8034		2.5357	2.5357
H4	1.0940	2.0255	2.5357		1.8313
H5	1.0940	2.0255	2.5357	1.8313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.937	F2	C1	H4	109.846
F2	C1	H5	109.846	Br3	C1	H4	106.232
Br3	C1	H5	106.232	H4	C1	H5	113.647

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

using model chemistry: BLYP/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	-0.208
2	F	-0.194
3	Br	-0.065
4	H	0.233
5	H	0.233

	x	y	z	Total
	1.700	-0.810	0.000	1.884
CHELPG
AIM
ESP

	x	y	z
x	3.284	-0.530	0.000
y	-0.530	6.065	0.000
z	0.000	0.000	3.040

<r²>	94.666
(<r²>)^1/2	9.730

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

using model chemistry: BLYP/6-311G*

States and conformations

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