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	hartrees
Energy at 0K	-2807.834454
Energy at 298.15K
HF Energy	-2807.198941
Nuclear repulsion energy	257.416061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3043	18.87
2	A'	1348	1281	115.78
3	A'	1160	1102	242.54
4	A'	727	690	108.61
5	A'	579	550	7.54
6	A'	323	307	0.07
7	A"	1427	1356	31.81
8	A"	1214	1153	177.86
9	A"	319	303	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	-0.430	-0.915	0.000
H2	-1.517	-0.983	0.000
Br3	0.077	0.964	0.000
F4	0.077	-1.514	1.091
F5	0.077	-1.514	-1.091

	C1	H2	Br3	F4	F5
C1		1.0890	1.9457	1.3445	1.3445
H2	1.0890		2.5160	2.0036	2.0036
Br3	1.9457	2.5160		2.7077	2.7077
F4	1.3445	2.0036	2.7077		2.1825
F5	1.3445	2.0036	2.7077	2.1825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.697	H2	C1	F4	110.402
H2	C1	F5	110.402	Br3	C1	F4	109.406
Br3	C1	F5	109.406	F4	C1	F5	108.512

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

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 CHBrF2 (Methane, bromodifluoro-)

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

States and conformations

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