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	hartrees
Energy at 0K	-2708.808589
Energy at 298.15K	-2708.814041
HF Energy	-2708.341057
Nuclear repulsion energy	164.311717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3151	2993	18.27
2	A'	1553	1475	0.45
3	A'	1385	1315	71.47
4	A'	1140	1083	158.92
5	A'	654	621	60.20
6	A'	314	298	0.57
7	A"	3235	3072	9.59
8	A"	1280	1216	2.82
9	A"	966	918	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.519	-1.123	0.000
F2	-0.590	-1.918	0.000
Br3	0.000	0.760	0.000
H4	1.098	-1.295	0.907
H5	1.098	-1.295	-0.907

	C1	F2	Br3	H4	H5
C1		1.3653	1.9525	1.0894	1.0894
F2	1.3653		2.7416	2.0150	2.0150
Br3	1.9525	2.7416		2.4997	2.4997
H4	1.0894	2.0150	2.4997		1.8138
H5	1.0894	2.0150	2.4997	1.8138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.194	F2	C1	H4	109.842
F2	C1	H5	109.842	Br3	C1	H4	107.085
Br3	C1	H5	107.085	H4	C1	H5	112.713

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

using model chemistry: CCSD=FULL/6-31G*

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=FULL/6-31G*

States and conformations

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