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	hartrees
Energy at 0K	-3071.540896
Energy at 298.15K	-3071.546249
HF Energy	-3070.967113
Nuclear repulsion energy	220.485843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3250	3250	4.10
2	A'	1528	1528	0.01
3	A'	1328	1328	58.15
4	A'	810	810	89.54
5	A'	666	666	18.32
6	A'	241	241	0.27
7	A"	3331	3331	0.49
8	A"	1217	1217	0.01
9	A"	900	900	2.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.013	0.000
Br2	0.833	-0.713	0.000
Cl3	-1.753	0.931	0.000
H4	0.321	1.526	0.887
H5	0.321	1.526	-0.887

	C1	Br2	Cl3	H4	H5
C1		1.9163	1.7545	1.0738	1.0738
Br2	1.9163		3.0640	2.4620	2.4620
Cl3	1.7545	3.0640		2.3323	2.3323
H4	1.0738	2.4620	2.3323		1.7742
H5	1.0738	2.4620	2.3323	1.7742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.094	Br2	C1	H4	107.477
Br2	C1	H5	107.477	Cl3	C1	H4	108.708
Cl3	C1	H5	108.708	H4	C1	H5	111.411

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

using model chemistry: CID/Def2TZVPP

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/Def2TZVPP

States and conformations

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