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	hartrees
Energy at 0K	-3058.562091
Energy at 298.15K
HF Energy	-3058.436702
Nuclear repulsion energy	216.544177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3171	3.61
2	A'	1527	1527	0.06
3	A'	1304	1304	45.34
4	A'	690	690	103.53
5	A'	627	627	16.32
6	A'	227	227	0.31
7	A"	3252	3252	0.05
8	A"	1198	1198	0.00
9	A"	875	875	4.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.038	0.000
Br2	0.855	-0.714	0.000
Cl3	-1.797	0.921	0.000
H4	0.309	1.558	0.900
H5	0.309	1.558	-0.900

	C1	Br2	Cl3	H4	H5
C1		1.9501	1.8004	1.0841	1.0841
Br2	1.9501		3.1154	2.5046	2.5046
Cl3	1.8004	3.1154		2.3767	2.3767
H4	1.0841	2.5046	2.3767		1.7995
H5	1.0841	2.5046	2.3767	1.7995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.271	Br2	C1	H4	107.832
Br2	C1	H5	107.832	Cl3	C1	H4	108.391
Cl3	C1	H5	108.391	H4	C1	H5	112.177

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

using model chemistry: B2PLYP=FULLultrafine/3-21G*

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: B2PLYP=FULLultrafine/3-21G*

States and conformations

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