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	hartrees
Energy at 0K	-2711.327315
Energy at 298.15K	-2711.332779
HF Energy	-2710.846579
Nuclear repulsion energy	164.383616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3129	2964	22.94
2	A'	1507	1428	1.00
3	A'	1356	1285	67.86
4	A'	1131	1071	178.84
5	A'	659	624	57.08
6	A'	318	301	0.59
7	A"	3212	3043	11.50
8	A"	1262	1195	4.26
9	A"	951	901	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.514	-1.120	0.000
F2	-0.588	-1.919	0.000
Br3	0.000	0.759	0.000
H4	1.103	-1.293	0.913
H5	1.103	-1.293	-0.913

	C1	F2	Br3	H4	H5
C1		1.3612	1.9490	1.0996	1.0996
F2	1.3612		2.7419	2.0208	2.0208
Br3	1.9490	2.7419		2.5027	2.5027
H4	1.0996	2.0208	2.5027		1.8251
H5	1.0996	2.0208	2.5027	1.8251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.601	F2	C1	H4	109.958
F2	C1	H5	109.958	Br3	C1	H4	107.040
Br3	C1	H5	107.040	H4	C1	H5	112.170

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

using model chemistry: CCSD/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: CCSD/cc-pVDZ

States and conformations

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