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	hartrees
Energy at 0K	-2711.328427
Energy at 298.15K	-2711.333887
HF Energy	-2710.846514
Nuclear repulsion energy	164.264202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3125	2998	23.48
2	A'	1505	1444	0.97
3	A'	1354	1299	68.31
4	A'	1125	1079	178.91
5	A'	656	629	58.21
6	A'	316	304	0.57
7	A"	3208	3078	11.96
8	A"	1259	1208	4.19
9	A"	950	912	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.515	-1.121	0.000
F2	-0.588	-1.920	0.000
Br3	0.000	0.760	0.000
H4	1.103	-1.294	0.913
H5	1.103	-1.294	-0.913

	C1	F2	Br3	H4	H5
C1		1.3622	1.9505	1.0999	1.0999
F2	1.3622		2.7442	2.0220	2.0220
Br3	1.9505	2.7442		2.5038	2.5038
H4	1.0999	2.0220	2.5038		1.8260
H5	1.0999	2.0220	2.5038	1.8260

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.609	F2	C1	H4	109.964
F2	C1	H5	109.964	Br3	C1	H4	107.006
Br3	C1	H5	107.006	H4	C1	H5	112.217

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

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

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