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	hartrees
Energy at 0K	-48.699954
Energy at 298.15K	-48.704219
HF Energy	-48.487328
Nuclear repulsion energy	54.366537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3079	2.35
2	A'	1213	1184	46.37
3	A'	686	670	118.35
4	A'	568	554	11.10
5	A'	306	299	0.42
6	A'	211	206	0.29
7	A"	1225	1196	28.43
8	A"	712	695	118.08
9	A"	207	202	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.687	-0.134	0.000
H2	-1.617	0.439	0.000
Br3	0.831	1.169	0.000
Cl4	-0.687	-1.192	1.537
Cl5	-0.687	-1.192	-1.537

	C1	H2	Br3	Cl4	Cl5
C1		1.0926	2.0001	1.8663	1.8663
H2	1.0926		2.5549	2.4267	2.4267
Br3	2.0001	2.5549		3.2001	3.2001
Cl4	1.8663	2.4267	3.2001		3.0742
Cl5	1.8663	2.4267	3.2001	3.0742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.767	H2	C1	Cl4	107.291
H2	C1	Cl5	107.291	Br3	C1	Cl4	111.674
Br3	C1	Cl5	111.674	Cl4	C1	Cl5	110.892

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

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

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