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	hartrees
Energy at 0K	-3071.633110
Energy at 298.15K	-3071.638422
HF Energy	-3070.967096
Nuclear repulsion energy	219.402649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3167	4.45
2	A'	1484	1484	0.02
3	A'	1288	1288	52.24
4	A'	787	787	80.08
5	A'	646	646	16.45
6	A'	234	234	0.25
7	A"	3247	3247	0.22
8	A"	1180	1180	0.01
9	A"	875	875	2.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.019	0.000
Br2	0.837	-0.717	0.000
Cl3	-1.761	0.935	0.000
H4	0.323	1.534	0.893
H5	0.323	1.534	-0.893

	C1	Br2	Cl3	H4	H5
C1		1.9267	1.7626	1.0805	1.0805
Br2	1.9267		3.0781	2.4751	2.4751
Cl3	1.7626	3.0781		2.3448	2.3448
H4	1.0805	2.4751	2.3448		1.7868
H5	1.0805	2.4751	2.3448	1.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.021	Br2	C1	H4	107.418
Br2	C1	H5	107.418	Cl3	C1	H4	108.736
Cl3	C1	H5	108.736	H4	C1	H5	111.548

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

using model chemistry: CCD/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: CCD/Def2TZVPP

States and conformations

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