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	hartrees
Energy at 0K	-250.559123
Energy at 298.15K	-250.563878
HF Energy	-250.205081
Nuclear repulsion energy	102.410081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3113	15.95
2	A'	1307	1259	94.81
3	A'	976	940	217.65
4	A'	673	648	95.27
5	A'	495	477	8.38
6	A'	295	284	0.87
7	A"	1319	1270	11.17
8	A"	998	961	214.18
9	A"	289	279	1.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.455	-0.922	0.000
H2	-1.542	-1.034	0.000
Br3	0.081	1.000	0.000
F4	0.081	-1.580	1.148
F5	0.081	-1.580	-1.148

	C1	H2	Br3	F4	F5
C1		1.0928	1.9960	1.4272	1.4272
H2	1.0928		2.6026	2.0612	2.0612
Br3	1.9960	2.6026		2.8241	2.8241
F4	1.4272	2.0612	2.8241		2.2956
F5	1.4272	2.0612	2.8241	2.2956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	111.449	H2	C1	F4	109.037
H2	C1	F5	109.037	Br3	C1	F4	110.068
Br3	C1	F5	110.068	F4	C1	F5	107.073

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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