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	hartrees
Energy at 0K	-2711.705454
Energy at 298.15K	-2711.710952
HF Energy	-2710.974659
Nuclear repulsion energy	166.372820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	2964	15.17
2	A'	1544	1440	0.35
3	A'	1381	1288	50.10
4	A'	1159	1081	177.13
5	A'	682	636	53.78
6	A'	326	304	0.73
7	A"	3238	3020	4.40
8	A"	1296	1209	3.27
9	A"	964	899	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.510	-1.106	0.000
F2	-0.581	-1.898	0.000
Br3	0.000	0.751	0.000
H4	1.085	-1.277	0.895
H5	1.085	-1.277	-0.895

	C1	F2	Br3	H4	H5
C1		1.3478	1.9254	1.0779	1.0779
F2	1.3478		2.7115	1.9906	1.9906
Br3	1.9254	2.7115		2.4681	2.4681
H4	1.0779	1.9906	2.4681		1.7907
H5	1.0779	1.9906	2.4681	1.7907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.625	F2	C1	H4	109.794
F2	C1	H5	109.794	Br3	C1	H4	107.123
Br3	C1	H5	107.123	H4	C1	H5	112.325

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

using model chemistry: MP3=FULL/cc-pVTZ

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

using model chemistry: MP3=FULL/cc-pVTZ

States and conformations

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