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	hartrees
Energy at 0K	-2807.794108
Energy at 298.15K	-2807.799082
HF Energy	-2807.198910
Nuclear repulsion energy	257.266929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3036	18.37
2	A'	1352	1279	117.30
3	A'	1166	1104	241.02
4	A'	730	691	106.92
5	A'	581	550	7.65
6	A'	324	306	0.07
7	A"	1432	1356	33.12
8	A"	1221	1156	176.11
9	A"	319	302	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.425	-0.925	0.000
H2	-1.514	-0.987	0.000
Br3	0.077	0.969	0.000
F4	0.077	-1.520	1.093
F5	0.077	-1.520	-1.093

	C1	H2	Br3	F4	F5
C1		1.0914	1.9591	1.3414	1.3414
H2	1.0914		2.5208	2.0024	2.0024
Br3	1.9591	2.5208		2.7184	2.7184
F4	1.3414	2.0024	2.7184		2.1853
F5	1.3414	2.0024	2.7184	2.1853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.054	H2	C1	F4	110.364
H2	C1	F5	110.364	Br3	C1	F4	109.476
Br3	C1	F5	109.476	F4	C1	F5	109.087

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

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

States and conformations

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