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	hartrees
Energy at 0K	-3530.413809
Energy at 298.15K	-3530.418196
HF Energy	-3529.817930
Nuclear repulsion energy	391.192101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3182	3115
2	A'	1198	1173
3	A'	737	721
4	A'	605	592
5	A'	330	323
6	A'	224	219
7	A"	1236	1209
8	A"	782	765
9	A"	217	213

Atom	x (Å)	y (Å)	z (Å)
C1	-0.677	-0.136	0.000
H2	-1.595	0.466	0.000
Br3	0.819	1.120	0.000
Cl4	-0.677	-1.143	1.472
Cl5	-0.677	-1.143	-1.472

	C1	H2	Br3	Cl4	Cl5
C1		1.0977	1.9544	1.7836	1.7836
H2	1.0977		2.5015	2.3662	2.3662
Br3	1.9544	2.5015		3.0872	3.0872
Cl4	1.7836	2.3662	3.0872		2.9449
Cl5	1.7836	2.3662	3.0872	2.9449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.697	H2	C1	Cl4	108.039
H2	C1	Cl5	108.039	Br3	C1	Cl4	111.278
Br3	C1	Cl5	111.278	Cl4	C1	Cl5	111.292

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)

using model chemistry: CCSD(T)/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 CHBrCl2 (Methane, bromodichloro-)

using model chemistry: CCSD(T)/cc-pVDZ

States and conformations

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)