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	hartrees
Energy at 0K	-3071.641867
Energy at 298.15K	-3071.647173
HF Energy	-3071.020301
Nuclear repulsion energy	219.000011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	2973	4.93
2	A'	1478	1391	0.01
3	A'	1278	1203	53.87
4	A'	776	731	84.11
5	A'	640	602	17.91
6	A'	232	218	0.26
7	A"	3236	3046	0.13
8	A"	1173	1104	0.01
9	A"	871	819	2.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.019	0.000
Br2	0.840	-0.715	0.000
Cl3	-1.767	0.933	0.000
H4	0.319	1.536	0.894
H5	0.319	1.536	-0.894

	C1	Br2	Cl3	H4	H5
C1		1.9275	1.7696	1.0811	1.0811
Br2	1.9275		3.0848	2.4780	2.4780
Cl3	1.7696	3.0848		2.3492	2.3492
H4	1.0811	2.4780	2.3492		1.7884
H5	1.0811	2.4780	2.3492	1.7884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.037	Br2	C1	H4	107.550
Br2	C1	H5	107.550	Cl3	C1	H4	108.572
Cl3	C1	H5	108.572	H4	C1	H5	111.606

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

using model chemistry: CCSD/cc-pVTZ

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/cc-pVTZ

States and conformations

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