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	hartrees
Energy at 0K	-3069.076143
Energy at 298.15K	-3069.081469
HF Energy	-3068.581706
Nuclear repulsion energy	220.631499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3002	2.04
2	A'	1484	1401	0.03
3	A'	1284	1212	45.76
4	A'	787	744	84.67
5	A'	665	628	13.11
6	A'	237	224	0.31
7	A"	3263	3082	1.25
8	A"	1181	1115	0.00
9	A"	880	831	2.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.010	0.000
Br2	0.840	-0.699	0.000
Cl3	-1.765	0.902	0.000
H4	0.307	1.543	0.895
H5	0.307	1.543	-0.895

	C1	Br2	Cl3	H4	H5
C1		1.9044	1.7687	1.0856	1.0856
Br2	1.9044		3.0580	2.4720	2.4720
Cl3	1.7687	3.0580		2.3463	2.3463
H4	1.0856	2.4720	2.3463		1.7895
H5	1.0856	2.4720	2.3463	1.7895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.668	Br2	C1	H4	108.409
Br2	C1	H5	108.409	Cl3	C1	H4	108.183
Cl3	C1	H5	108.183	H4	C1	H5	111.015

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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