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	hartrees
Energy at 0K	-3530.595550
Energy at 298.15K
HF Energy	-3529.841439
Nuclear repulsion energy	396.171242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3231	3231	3.33
2	A'	1239	1239	30.92
3	A'	775	775	95.13
4	A'	628	628	10.74
5	A'	344	344	0.12
6	A'	231	231	0.03
7	A"	1279	1279	18.24
8	A"	821	821	110.14
9	A"	224	224	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.670	-0.137	0.000
H2	-1.572	0.456	0.000
Br3	0.811	1.107	0.000
Cl4	-0.670	-1.129	1.452
Cl5	-0.670	-1.129	-1.452

	C1	H2	Br3	Cl4	Cl5
C1		1.0790	1.9339	1.7585	1.7585
H2	1.0790		2.4704	2.3307	2.3307
Br3	1.9339	2.4704		3.0496	3.0496
Cl4	1.7585	2.3307	3.0496		2.9039
Cl5	1.7585	2.3307	3.0496	2.9039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.686	H2	C1	Cl4	108.041
H2	C1	Cl5	108.041	Br3	C1	Cl4	111.270
Br3	C1	Cl5	111.270	Cl4	C1	Cl5	111.313

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

using model chemistry: MP3/6-311+G(3df,2p)

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: MP3/6-311+G(3df,2p)

States and conformations

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