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	hartrees
Energy at 0K	-3068.814241
Energy at 298.15K
HF Energy	-3068.395257
Nuclear repulsion energy	217.666209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	2992	6.78
2	A'	1517	1415	0.84
3	A'	1313	1225	65.82
4	A'	788	734	78.82
5	A'	621	580	24.82
6	A'	236	220	0.29
7	A"	3295	3073	0.10
8	A"	1204	1123	0.00
9	A"	882	822	2.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.032	0.000
Br2	0.838	-0.730	0.000
Cl3	-1.765	0.957	0.000
H4	0.334	1.540	0.895
H5	0.334	1.540	-0.895

	C1	Br2	Cl3	H4	H5
C1		1.9513	1.7669	1.0823	1.0823
Br2	1.9513		3.1019	2.4919	2.4919
Cl3	1.7669	3.1019		2.3557	2.3557
H4	1.0823	2.4919	2.3557		1.7910
H5	1.0823	2.4919	2.3557	1.7910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.981	Br2	C1	H4	106.937
Br2	C1	H5	106.937	Cl3	C1	H4	109.170
Cl3	C1	H5	109.170	H4	C1	H5	111.656

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

using model chemistry: CCSD/6-31G**

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: CCSD/6-31G**

States and conformations

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