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	hartrees
Energy at 0K	-2711.663071
Energy at 298.15K	-2711.668557
HF Energy	-2710.977131
Nuclear repulsion energy	165.995913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3133	2994	13.52
2	A'	1527	1459	0.24
3	A'	1371	1311	45.51
4	A'	1118	1068	176.38
5	A'	680	650	56.23
6	A'	322	308	0.80
7	A"	3211	3069	2.22
8	A"	1271	1215	2.78
9	A"	967	924	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.516	-1.104	0.000
F2	-0.586	-1.900	0.000
Br3	0.000	0.751	0.000
H4	1.090	-1.282	0.903
H5	1.090	-1.282	-0.903

	C1	F2	Br3	H4	H5
C1		1.3591	1.9258	1.0843	1.0843
F2	1.3591		2.7148	2.0015	2.0015
Br3	1.9258	2.7148		2.4769	2.4769
H4	1.0843	2.0015	2.4769		1.8053
H5	1.0843	2.0015	2.4769	1.8053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.283	F2	C1	H4	109.487
F2	C1	H5	109.487	Br3	C1	H4	107.423
Br3	C1	H5	107.423	H4	C1	H5	112.695

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

using model chemistry: CCSD/aug-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: CCSD/aug-cc-pVTZ

States and conformations

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