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	hartrees
Energy at 0K	-3071.634148
Energy at 298.15K	-3071.639456
HF Energy	-3070.967136
Nuclear repulsion energy	219.318487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3191	3.53
2	A'	1485	1485	0.02
3	A'	1286	1286	51.95
4	A'	782	782	83.17
5	A'	644	644	17.62
6	A'	233	233	0.26
7	A"	3272	3272	0.43
8	A"	1179	1179	0.01
9	A"	874	874	2.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.019	0.000
Br2	0.837	-0.717	0.000
Cl3	-1.761	0.937	0.000
H4	0.322	1.532	0.893
H5	0.322	1.532	-0.893

	C1	Br2	Cl3	H4	H5
C1		1.9277	1.7632	1.0786	1.0786
Br2	1.9277		3.0801	2.4738	2.4738
Cl3	1.7632	3.0801		2.3435	2.3435
H4	1.0786	2.4738	2.3435		1.7857
H5	1.0786	2.4738	2.3435	1.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.052	Br2	C1	H4	107.348
Br2	C1	H5	107.348	Cl3	C1	H4	108.701
Cl3	C1	H5	108.701	H4	C1	H5	111.734

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)

using model chemistry: MP3/Def2TZVPP

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 CH2BrCl (Methane, bromochloro-)

using model chemistry: MP3/Def2TZVPP

States and conformations

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)