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	hartrees
Energy at 0K	-3071.351099
Energy at 298.15K	-3071.356398
HF Energy	-3070.912362
Nuclear repulsion energy	217.324701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3020	7.70
2	A'	1463	1400	0.17
3	A'	1276	1221	56.11
4	A'	783	749	79.74
5	A'	633	605	18.25
6	A'	233	223	0.25
7	A"	3241	3100	0.09
8	A"	1168	1117	0.02
9	A"	863	826	2.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.025	0.000
Br2	0.844	-0.725	0.000
Cl3	-1.776	0.948	0.000
H4	0.329	1.550	0.906
H5	0.329	1.550	-0.906

	C1	Br2	Cl3	H4	H5
C1		1.9430	1.7778	1.0973	1.0973
Br2	1.9430		3.1084	2.5020	2.5020
Cl3	1.7778	3.1084		2.3698	2.3698
H4	1.0973	2.5020	2.3698		1.8114
H5	1.0973	2.5020	2.3698	1.8114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.244	Br2	C1	H4	107.476
Br2	C1	H5	107.476	Cl3	C1	H4	108.709
Cl3	C1	H5	108.709	H4	C1	H5	111.256

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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