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	hartrees
Energy at 0K	-2810.854970
Energy at 298.15K
HF Energy	-2809.871116
Nuclear repulsion energy	259.910959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3036	12.11
2	A'	1348	1278	92.29
3	A'	1164	1104	262.34
4	A'	744	705	104.21
5	A'	600	569	5.98
6	A'	336	318	0.08
7	A"	1421	1347	16.78
8	A"	1209	1147	201.19
9	A"	325	308	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	-0.420	-0.904	0.000
H2	-1.497	-0.971	0.000
Br3	0.076	0.956	0.000
F4	0.076	-1.503	1.080
F5	0.076	-1.503	-1.080

	C1	H2	Br3	F4	F5
C1		1.0783	1.9244	1.3307	1.3307
H2	1.0783		2.4870	1.9801	1.9801
Br3	1.9244	2.4870		2.6850	2.6850
F4	1.3307	1.9801	2.6850		2.1592
F5	1.3307	1.9801	2.6850	2.1592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.535	H2	C1	F4	110.123
H2	C1	F5	110.123	Br3	C1	F4	109.807
Br3	C1	F5	109.807	F4	C1	F5	108.441

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVTZ

States and conformations

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