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	hartrees
Energy at 0K	-2810.796659
Energy at 298.15K
HF Energy	-2809.875114
Nuclear repulsion energy	259.675955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3186	3186	5.31	80.70	0.20	0.33
2	A'	1321	1321	77.65	4.21	0.09	0.17
3	A'	1121	1121	253.52	1.12	0.74	0.85
4	A'	744	744	111.78	13.61	0.11	0.19
5	A'	583	583	4.74	2.14	0.16	0.28
6	A'	333	333	0.06	4.48	0.23	0.37
7	A"	1381	1381	8.74	2.44	0.75	0.86
8	A"	1147	1147	206.74	1.68	0.75	0.86
9	A"	320	320	0.12	0.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.426	-0.896	0.000
H2	-1.508	-0.969	0.000
Br3	0.077	0.953	0.000
F4	0.077	-1.501	1.087
F5	0.077	-1.501	-1.087

	C1	H2	Br3	F4	F5
C1		1.0850	1.9160	1.3414	1.3414
H2	1.0850		2.4916	1.9938	1.9938
Br3	1.9160	2.4916		2.6840	2.6840
F4	1.3414	1.9938	2.6840		2.1733
F5	1.3414	1.9938	2.6840	2.1733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.088	H2	C1	F4	110.064
H2	C1	F5	110.064	Br3	C1	F4	109.703
Br3	C1	F5	109.703	F4	C1	F5	108.207

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

using model chemistry: MP2/daug-cc-pVTZ

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/daug-cc-pVTZ

States and conformations

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