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	hartrees
Energy at 0K	-2810.621494
Energy at 298.15K
HF Energy	-2809.779236
Nuclear repulsion energy	259.591400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	2999	6.95
2	A'	1348	1271	86.31
3	A'	1163	1097	254.11
4	A'	749	706	101.83
5	A'	599	565	5.23
6	A'	338	318	0.19
7	A"	1414	1334	12.82
8	A"	1197	1129	198.75
9	A"	325	307	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	-0.905	0.000
H2	-1.506	-0.980	0.000
Br3	0.076	0.957	0.000
F4	0.076	-1.505	1.078
F5	0.076	-1.505	-1.078

	C1	H2	Br3	F4	F5
C1		1.0858	1.9282	1.3309	1.3309
H2	1.0858		2.5011	1.9853	1.9853
Br3	1.9282	2.5011		2.6883	2.6883
F4	1.3309	1.9853	2.6883		2.1564
F5	1.3309	1.9853	2.6883	2.1564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.924	H2	C1	F4	110.056
H2	C1	F5	110.056	Br3	C1	F4	109.789
Br3	C1	F5	109.789	F4	C1	F5	108.218

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

using model chemistry: CCD/6-311+G(3df,2p)

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: CCD/6-311+G(3df,2p)

States and conformations

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