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	hartrees
Energy at 0K	-250.768568
Energy at 298.15K	-250.773336
HF Energy	-250.412531
Nuclear repulsion energy	102.589668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3117	14.29
2	A'	1310	1264	101.96
3	A'	975	942	224.66
4	A'	683	659	101.96
5	A'	496	479	8.41
6	A'	299	289	0.93
7	A"	1317	1271	11.19
8	A"	996	962	213.17
9	A"	290	280	1.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.455	-0.914	0.000
H2	-1.542	-1.026	0.000
Br3	0.081	0.995	0.000
F4	0.081	-1.573	1.148
F5	0.081	-1.573	-1.148

	C1	H2	Br3	F4	F5
C1		1.0932	1.9826	1.4273	1.4273
H2	1.0932		2.5920	2.0613	2.0613
Br3	1.9826	2.5920		2.8122	2.8122
F4	1.4273	2.0613	2.8122		2.2953
F5	1.4273	2.0613	2.8122	2.2953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	111.559	H2	C1	F4	109.010
H2	C1	F5	109.010	Br3	C1	F4	110.052
Br3	C1	F5	110.052	F4	C1	F5	107.040

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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