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	hartrees
Energy at 0K	-3071.389292
Energy at 298.15K	-3071.394589
HF Energy	-3070.921050
Nuclear repulsion energy	217.363375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3034	4.23
2	A'	1448	1397	0.02
3	A'	1269	1224	51.51
4	A'	768	741	82.67
5	A'	633	610	17.68
6	A'	233	225	0.23
7	A"	3231	3116	0.49
8	A"	1166	1125	0.02
9	A"	864	833	2.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.030	0.000
Br2	0.847	-0.719	0.000
Cl3	-1.781	0.934	0.000
H4	0.319	1.551	0.908
H5	0.319	1.551	-0.908

	C1	Br2	Cl3	H4	H5
C1		1.9429	1.7837	1.0948	1.0948
Br2	1.9429		3.1047	2.5015	2.5015
Cl3	1.7837	3.1047		2.3698	2.3698
H4	1.0948	2.5015	2.3698		1.8167
H5	1.0948	2.5015	2.3698	1.8167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.768	Br2	C1	H4	107.562
Br2	C1	H5	107.562	Cl3	C1	H4	108.444
Cl3	C1	H5	108.444	H4	C1	H5	112.122

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

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

States and conformations

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