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	hartrees
Energy at 0K	-2808.274471
Energy at 298.15K
HF Energy	-2807.395044
Nuclear repulsion energy	262.555120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3002	15.96
2	A'	1368	1288	88.29
3	A'	1178	1110	219.44
4	A'	765	721	93.68
5	A'	600	565	5.37
6	A'	348	328	0.21
7	A"	1437	1353	17.77
8	A"	1230	1158	165.07
9	A"	334	315	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	-0.420	-0.885	0.000
H2	-1.504	-0.964	0.000
Br3	0.076	0.941	0.000
F4	0.076	-1.481	1.079
F5	0.076	-1.481	-1.079

	C1	H2	Br3	F4	F5
C1		1.0867	1.8919	1.3288	1.3288
H2	1.0867		2.4743	1.9817	1.9817
Br3	1.8919	2.4743		2.6516	2.6516
F4	1.3288	1.9817	2.6516		2.1581
F5	1.3288	1.9817	2.6516	2.1581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.345	H2	C1	F4	109.847
H2	C1	F5	109.847	Br3	C1	F4	109.595
Br3	C1	F5	109.595	F4	C1	F5	108.597

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

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