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	hartrees
Energy at 0K	-2711.711081
Energy at 298.15K	-2711.716572
HF Energy	-2710.974558
Nuclear repulsion energy	166.207079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	2991	16.86
2	A'	1537	1458	0.16
3	A'	1376	1305	51.25
4	A'	1142	1082	176.53
5	A'	678	643	55.57
6	A'	324	307	0.67
7	A"	3214	3047	5.01
8	A"	1289	1222	3.11
9	A"	963	913	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.511	-1.106	0.000
F2	-0.582	-1.900	0.000
Br3	0.000	0.751	0.000
H4	1.087	-1.278	0.897
H5	1.087	-1.278	-0.897

	C1	F2	Br3	H4	H5
C1		1.3516	1.9258	1.0794	1.0794
F2	1.3516		2.7143	1.9940	1.9940
Br3	1.9258	2.7143		2.4706	2.4706
H4	1.0794	1.9940	2.4706		1.7936
H5	1.0794	1.9940	2.4706	1.7936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.602	F2	C1	H4	109.706
F2	C1	H5	109.706	Br3	C1	H4	107.207
Br3	C1	H5	107.207	H4	C1	H5	112.364

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

using model chemistry: CCSD=FULL/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=FULL/cc-pVTZ

States and conformations

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