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	hartrees
Energy at 0K	-2807.721328
Energy at 298.15K	-2807.726354
HF Energy	-2807.199912
Nuclear repulsion energy	258.942760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3298	3047	18.00
2	A'	1390	1284	127.54
3	A'	1198	1106	264.43
4	A'	752	694	118.41
5	A'	597	551	8.10
6	A'	334	309	0.07
7	A"	1472	1359	34.58
8	A"	1254	1158	188.21
9	A"	329	304	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.427	-0.909	0.000
H2	-1.506	-0.978	0.000
Br3	0.077	0.959	0.000
F4	0.077	-1.506	1.084
F5	0.077	-1.506	-1.084

	C1	H2	Br3	F4	F5
C1		1.0819	1.9346	1.3357	1.3357
H2	1.0819		2.5013	1.9900	1.9900
Br3	1.9346	2.5013		2.6926	2.6926
F4	1.3357	1.9900	2.6926		2.1673
F5	1.3357	1.9900	2.6926	2.1673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.716	H2	C1	F4	110.356
H2	C1	F5	110.356	Br3	C1	F4	109.478
Br3	C1	F5	109.478	F4	C1	F5	108.443

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

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

States and conformations

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