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	hartrees
Energy at 0K	-2807.781483
Energy at 298.15K	-2807.786440
HF Energy	-2807.198571
Nuclear repulsion energy	257.028447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3045	17.42
2	A'	1346	1269	115.13
3	A'	1144	1079	247.47
4	A'	726	685	121.32
5	A'	574	541	7.93
6	A'	321	302	0.20
7	A"	1424	1343	27.58
8	A"	1195	1127	185.38
9	A"	317	299	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	-0.425	-0.926	0.000
H2	-1.514	-0.984	0.000
Br3	0.077	0.968	0.000
F4	0.077	-1.520	1.096
F5	0.077	-1.520	-1.096

	C1	H2	Br3	F4	F5
C1		1.0904	1.9596	1.3438	1.3438
H2	1.0904		2.5177	2.0047	2.0047
Br3	1.9596	2.5177		2.7188	2.7188
F4	1.3438	2.0047	2.7188		2.1929
F5	1.3438	2.0047	2.7188	2.1929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.848	H2	C1	F4	110.444
H2	C1	F5	110.444	Br3	C1	F4	109.362
Br3	C1	F5	109.362	F4	C1	F5	109.352

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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