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	hartrees
Energy at 0K	-3071.612578
Energy at 298.15K	-3071.617851
HF Energy	-3070.954008
Nuclear repulsion energy	216.803327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3157	3018
2	A'	1469	1404
3	A'	1295	1238
4	A'	757	723
5	A'	614	587
6	A'	228	218
7	A"	3244	3102
8	A"	1166	1115
9	A"	861	823

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.027	0.000
Br2	0.846	-0.729	0.000
Cl3	-1.780	0.958	0.000
H4	0.326	1.537	0.898
H5	0.326	1.537	-0.898

	C1	Br2	Cl3	H4	H5
C1		1.9494	1.7818	1.0828	1.0828
Br2	1.9494		3.1216	2.4920	2.4920
Cl3	1.7818	3.1216		2.3622	2.3622
H4	1.0828	2.4920	2.3622		1.7959
H5	1.0828	2.4920	2.3622	1.7959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.496	Br2	C1	H4	107.044
Br2	C1	H5	107.044	Cl3	C1	H4	108.631
Cl3	C1	H5	108.631	H4	C1	H5	112.051

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

using model chemistry: CCSD(T)=FULL/TZVP

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(T)=FULL/TZVP

States and conformations

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