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	hartrees
Energy at 0K	-3530.845712
Energy at 298.15K
HF Energy	-3529.941994
Nuclear repulsion energy	397.953221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3060	1.20
2	A'	1220	1158	31.60
3	A'	768	729	110.14
4	A'	629	597	11.83
5	A'	338	321	0.16
6	A'	228	217	0.04
7	A"	1254	1191	17.39
8	A"	810	769	123.12
9	A"	221	210	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.667	-0.129	0.000
H2	-1.566	0.461	0.000
Br3	0.807	1.099	0.000
Cl4	-0.667	-1.122	1.449
Cl5	-0.667	-1.122	-1.449

	C1	H2	Br3	Cl4	Cl5
C1		1.0755	1.9186	1.7564	1.7564
H2	1.0755		2.4570	2.3267	2.3267
Br3	1.9186	2.4570		3.0336	3.0336
Cl4	1.7564	2.3267	3.0336		2.8985
Cl5	1.7564	2.3267	3.0336	2.8985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.894	H2	C1	Cl4	108.075
H2	C1	Cl5	108.075	Br3	C1	Cl4	111.198
Br3	C1	Cl5	111.198	Cl4	C1	Cl5	111.204

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

using model chemistry: MP2=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 CHBrCl2 (Methane, bromodichloro-)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

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