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	hartrees
Energy at 0K	-3071.659873
Energy at 298.15K
HF Energy	-3071.021803
Nuclear repulsion energy	219.531757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3163	3.16
2	A'	1495	1495	0.04
3	A'	1291	1291	49.78
4	A'	786	786	79.89
5	A'	648	648	15.85
6	A'	234	234	0.25
7	A"	3238	3238	0.99
8	A"	1185	1185	0.01
9	A"	881	881	2.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.018	0.000
Br2	0.839	-0.712	0.000
Cl3	-1.764	0.926	0.000
H4	0.318	1.536	0.895
H5	0.318	1.536	-0.895

	C1	Br2	Cl3	H4	H5
C1		1.9229	1.7665	1.0813	1.0813
Br2	1.9229		3.0754	2.4747	2.4747
Cl3	1.7665	3.0754		2.3469	2.3469
H4	1.0813	2.4747	2.3469		1.7891
H5	1.0813	2.4747	2.3469	1.7891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.869	Br2	C1	H4	107.597
Br2	C1	H5	107.597	Cl3	C1	H4	108.592
Cl3	C1	H5	108.592	H4	C1	H5	111.638

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

using model chemistry: CCD/daug-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: CCD/daug-cc-pVTZ

States and conformations

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