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	hartrees
Energy at 0K	-3071.408225
Energy at 298.15K	-3071.413483
HF Energy	-3070.920729
Nuclear repulsion energy	216.396650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3154	3082
2	A'	1499	1464
3	A'	1297	1267
4	A'	771	753
5	A'	609	595
6	A'	233	227
7	A"	3241	3166
8	A"	1188	1161
9	A"	873	853

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.035	0.000
Br2	0.851	-0.723	0.000
Cl3	-1.789	0.940	0.000
H4	0.320	1.554	0.912
H5	0.320	1.554	-0.912

	C1	Br2	Cl3	H4	H5
C1		1.9525	1.7913	1.0973	1.0973
Br2	1.9525		3.1191	2.5092	2.5092
Cl3	1.7913	3.1191		2.3785	2.3785
H4	1.0973	2.5092	2.3785		1.8245
H5	1.0973	2.5092	2.3785	1.8245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.774	Br2	C1	H4	107.374
Br2	C1	H5	107.374	Cl3	C1	H4	108.453
Cl3	C1	H5	108.453	H4	C1	H5	112.483

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

using model chemistry: MP4/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: MP4/aug-cc-pVDZ

States and conformations

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