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	hartrees
Energy at 0K	-3530.394808
Energy at 298.15K
HF Energy	-3529.813957
Nuclear repulsion energy	393.637814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3051	0.17
2	A'	1250	1192	40.85
3	A'	764	729	109.75
4	A'	621	592	13.56
5	A'	344	328	0.11
6	A'	232	221	0.00
7	A"	1309	1248	24.58
8	A"	813	776	131.26
9	A"	225	215	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.668	-0.145	0.000
H2	-1.579	0.445	0.000
Br3	0.809	1.120	0.000
Cl4	-0.668	-1.140	1.462
Cl5	-0.668	-1.140	-1.462

	C1	H2	Br3	Cl4	Cl5
C1		1.0852	1.9447	1.7688	1.7688
H2	1.0852		2.4815	2.3411	2.3411
Br3	1.9447	2.4815		3.0703	3.0703
Cl4	1.7688	2.3411	3.0703		2.9248
Cl5	1.7688	2.3411	3.0703	2.9248

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.494	H2	C1	Cl4	107.813
H2	C1	Cl5	107.813	Br3	C1	Cl4	111.455
Br3	C1	Cl5	111.455	Cl4	C1	Cl5	111.541

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

using model chemistry: CCSD/6-311G*

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/6-311G*

States and conformations

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