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	hartrees
Energy at 0K	-3071.354053
Energy at 298.15K	-3071.359337
HF Energy	-3070.912301
Nuclear repulsion energy	216.975030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3150	3022	7.97
2	A'	1458	1399	0.27
3	A'	1267	1216	58.85
4	A'	769	738	86.47
5	A'	623	598	21.66
6	A'	231	222	0.23
7	A"	3234	3103	0.10
8	A"	1160	1113	0.02
9	A"	860	826	2.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.028	0.000
Br2	0.845	-0.726	0.000
Cl3	-1.779	0.950	0.000
H4	0.329	1.551	0.907
H5	0.329	1.551	-0.907

	C1	Br2	Cl3	H4	H5
C1		1.9469	1.7805	1.0975	1.0975
Br2	1.9469		3.1134	2.5047	2.5047
Cl3	1.7805	3.1134		2.3724	2.3724
H4	1.0975	2.5047	2.3724		1.8138
H5	1.0975	2.5047	2.3724	1.8138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.210	Br2	C1	H4	107.406
Br2	C1	H5	107.406	Cl3	C1	H4	108.706
Cl3	C1	H5	108.706	H4	C1	H5	111.440

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

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

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