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	hartrees
Energy at 0K	-2707.401273
Energy at 298.15K	-2707.406690
HF Energy	-2707.401273
Nuclear repulsion energy	165.853005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3023	2978	11.68
2	A'	1423	1402	0.99
3	A'	1283	1264	38.49
4	A'	1098	1081	205.89
5	A'	647	637	69.51
6	A'	309	304	0.45
7	A"	3107	3061	1.49
8	A"	1196	1179	1.91
9	A"	919	905	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.512	-1.103	0.000
F2	-0.585	-1.902	0.000
Br3	0.000	0.752	0.000
H4	1.095	-1.282	0.917
H5	1.095	-1.282	-0.917

	C1	F2	Br3	H4	H5
C1		1.3570	1.9241	1.1009	1.1009
F2	1.3570		2.7175	2.0116	2.0116
Br3	1.9241	2.7175		2.4849	2.4849
H4	1.1009	2.0116	2.4849		1.8332
H5	1.1009	2.0116	2.4849	1.8332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.642	F2	C1	H4	109.411
F2	C1	H5	109.411	Br3	C1	H4	107.308
Br3	C1	H5	107.308	H4	C1	H5	112.729

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

using model chemistry: SVWN/6-31+G**

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	-0.210
3	Br	-0.100
4	H	0.209
5	H	0.209

	x	y	z	Total
	1.737	-0.559	0.000	1.824
CHELPG
AIM
ESP

	x	y	z
x	4.267	-0.326	0.000
y	-0.326	6.320	0.000
z	0.000	0.000	4.032

<r²>	90.297
(<r²>)^1/2	9.502

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

using model chemistry: SVWN/6-31+G**

States and conformations

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