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	hartrees
Energy at 0K	-1373.800052
Energy at 298.15K
HF Energy	-1372.987555
Nuclear repulsion energy	318.348957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3066	0.63
2	A'	1224	1167	34.55
3	A'	769	734	102.04
4	A'	626	597	10.09
5	A'	337	321	0.17
6	A'	227	216	0.09
7	A"	1261	1203	19.29
8	A"	811	774	113.10
9	A"	220	209	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.669	-0.131	0.000
H2	-1.571	0.461	0.000
Br3	0.809	1.105	0.000
Cl4	-0.669	-1.128	1.457
Cl5	-0.669	-1.128	-1.457

	C1	H2	Br3	Cl4	Cl5
C1		1.0792	1.9269	1.7656	1.7656
H2	1.0792		2.4663	2.3371	2.3371
Br3	1.9269	2.4663		3.0487	3.0487
Cl4	1.7656	2.3371	3.0487		2.9147
Cl5	1.7656	2.3371	3.0487	2.9147

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.843	H2	C1	Cl4	108.031
H2	C1	Cl5	108.031	Br3	C1	Cl4	111.233
Br3	C1	Cl5	111.233	Cl4	C1	Cl5	111.261

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

using model chemistry: CCSD/cc-pVTZ-PP

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/cc-pVTZ-PP

States and conformations

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