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	hartrees
Energy at 0K	-3071.572063
Energy at 298.15K
HF Energy	-3071.021820
Nuclear repulsion energy	220.501527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3245	2.92
2	A'	1535	1535	0.04
3	A'	1329	1329	55.69
4	A'	808	808	88.98
5	A'	666	666	17.58
6	A'	241	241	0.27
7	A"	3323	3323	1.39
8	A"	1220	1220	0.02
9	A"	905	905	1.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.013	0.000
Br2	0.835	-0.709	0.000
Cl3	-1.757	0.923	0.000
H4	0.315	1.528	0.889
H5	0.315	1.528	-0.889

	C1	Br2	Cl3	H4	H5
C1		1.9139	1.7591	1.0744	1.0744
Br2	1.9139		3.0630	2.4627	2.4627
Cl3	1.7591	3.0630		2.3344	2.3344
H4	1.0744	2.4627	2.3344		1.7771
H5	1.0744	2.4627	2.3344	1.7771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.942	Br2	C1	H4	107.661
Br2	C1	H5	107.661	Cl3	C1	H4	108.519
Cl3	C1	H5	108.519	H4	C1	H5	111.584

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

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

States and conformations

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