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	hartrees
Energy at 0K	-2810.360378
Energy at 298.15K	-2810.365372
HF Energy	-2809.708163
Nuclear repulsion energy	257.589259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3039	23.16
2	A'	1320	1255	111.11
3	A'	1137	1080	276.59
4	A'	730	694	119.82
5	A'	587	557	7.18
6	A'	328	311	0.27
7	A"	1399	1329	30.83
8	A"	1190	1131	212.35
9	A"	321	305	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	-0.424	-0.913	0.000
H2	-1.519	-0.975	0.000
Br3	0.077	0.963	0.000
F4	0.077	-1.515	1.091
F5	0.077	-1.515	-1.091

	C1	H2	Br3	F4	F5
C1		1.0976	1.9421	1.3424	1.3424
H2	1.0976		2.5109	2.0071	2.0071
Br3	1.9421	2.5109		2.7074	2.7074
F4	1.3424	2.0071	2.7074		2.1819
F5	1.3424	2.0071	2.7074	2.1819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.154	H2	C1	F4	110.292
H2	C1	F5	110.292	Br3	C1	F4	109.686
Br3	C1	F5	109.686	F4	C1	F5	108.723

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

using model chemistry: MP2=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

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