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	hartrees
Energy at 0K	-2807.807717
Energy at 298.15K
HF Energy	-2807.200802
Nuclear repulsion energy	257.100800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	3014	20.46
2	A'	1353	1262	121.24
3	A'	1159	1081	242.06
4	A'	727	678	107.78
5	A'	578	539	7.57
6	A'	322	300	0.07
7	A"	1432	1336	32.50
8	A"	1215	1133	177.20
9	A"	318	296	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	-0.429	-0.917	0.000
H2	-1.512	-0.981	0.000
Br3	0.077	0.965	0.000
F4	0.077	-1.517	1.092
F5	0.077	-1.517	-1.092

	C1	H2	Br3	F4	F5
C1		1.0850	1.9487	1.3454	1.3454
H2	1.0850		2.5123	2.0016	2.0016
Br3	1.9487	2.5123		2.7122	2.7122
F4	1.3454	2.0016	2.7122		2.1847
F5	1.3454	2.0016	2.7122	2.1847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.429	H2	C1	F4	110.432
H2	C1	F5	110.432	Br3	C1	F4	109.480
Br3	C1	F5	109.480	F4	C1	F5	108.574

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)

using model chemistry: CCSD/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 CHBrF2 (Methane, bromodifluoro-)

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

States and conformations

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)