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	hartrees
Energy at 0K	-3071.633062
Energy at 298.15K
HF Energy	-3071.021737
Nuclear repulsion energy	220.085243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3159	3159	2.54	98.86	0.04	0.08
2	A'	1482	1482	0.03	7.42	0.59	0.74
3	A'	1273	1273	47.05	0.92	0.11	0.19
4	A'	778	778	86.35	4.28	0.43	0.60
5	A'	649	649	18.36	16.51	0.09	0.16
6	A'	233	233	0.20	3.41	0.35	0.51
7	A"	3241	3241	1.85	43.58	0.75	0.86
8	A"	1175	1175	0.01	1.29	0.75	0.86
9	A"	878	878	2.33	0.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.017	0.000
Br2	0.837	-0.708	0.000
Cl3	-1.761	0.918	0.000
H4	0.316	1.534	0.896
H5	0.316	1.534	-0.896

	C1	Br2	Cl3	H4	H5
C1		1.9179	1.7639	1.0821	1.0821
Br2	1.9179		3.0654	2.4706	2.4706
Cl3	1.7639	3.0654		2.3448	2.3448
H4	1.0821	2.4706	2.3448		1.7930
H5	1.0821	2.4706	2.3448	1.7930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.664	Br2	C1	H4	107.594
Br2	C1	H5	107.594	Cl3	C1	H4	108.575
Cl3	C1	H5	108.575	H4	C1	H5	111.888

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

using model chemistry: MP2/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: MP2/daug-cc-pVTZ

States and conformations

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