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	hartrees
Energy at 0K	-2810.347926
Energy at 298.15K
HF Energy	-2809.734559
Nuclear repulsion energy	259.356070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3279	3279	6.35
2	A'	1362	1362	94.42
3	A'	1160	1160	264.35
4	A'	761	761	108.09
5	A'	594	594	5.25
6	A'	345	345	0.28
7	A"	1421	1421	12.63
8	A"	1195	1195	210.15
9	A"	333	333	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.427	-0.899	0.000
H2	-1.513	-0.978	0.000
Br3	0.077	0.955	0.000
F4	0.077	-1.503	1.085
F5	0.077	-1.503	-1.085

	C1	H2	Br3	F4	F5
C1		1.0884	1.9214	1.3408	1.3408
H2	1.0884		2.5027	1.9955	1.9955
Br3	1.9214	2.5027		2.6873	2.6873
F4	1.3408	1.9955	2.6873		2.1708
F5	1.3408	1.9955	2.6873	2.1708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.367	H2	C1	F4	110.032
H2	C1	F5	110.032	Br3	C1	F4	109.648
Br3	C1	F5	109.648	F4	C1	F5	108.098

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

using model chemistry: CID/daug-cc-pVDZ

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: CID/daug-cc-pVDZ

States and conformations

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