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	hartrees
Energy at 0K	-2711.637301
Energy at 298.15K	-2711.642795
HF Energy	-2710.974454
Nuclear repulsion energy	166.003702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3137	2929	16.77
2	A'	1530	1428	0.28
3	A'	1376	1285	53.03
4	A'	1147	1071	174.44
5	A'	682	637	54.07
6	A'	325	303	0.75
7	A"	3217	3004	5.17
8	A"	1284	1199	3.27
9	A"	965	901	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.512	-1.107	0.000
F2	-0.583	-1.901	0.000
Br3	0.000	0.752	0.000
H4	1.090	-1.282	0.900
H5	1.090	-1.282	-0.900

	C1	F2	Br3	H4	H5
C1		1.3526	1.9282	1.0837	1.0837
F2	1.3526		2.7162	1.9981	1.9981
Br3	1.9282	2.7162		2.4768	2.4768
H4	1.0837	1.9981	2.4768		1.7998
H5	1.0837	1.9981	2.4768	1.7998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.543	F2	C1	H4	109.697
F2	C1	H5	109.697	Br3	C1	H4	107.294
Br3	C1	H5	107.294	H4	C1	H5	112.269

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

using model chemistry: CCD/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: CCD/cc-pVTZ

States and conformations

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