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	hartrees
Energy at 0K	-3071.364499
Energy at 298.15K
HF Energy	-3070.922058
Nuclear repulsion energy	217.822451

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'	3148	3148	3.47	100.16	0.05	0.09
2	A'	1443	1443	0.02	7.61	0.59	0.74
3	A'	1254	1254	49.79	0.81	0.08	0.15
4	A'	762	762	90.89	5.10	0.41	0.58
5	A'	634	634	21.21	17.24	0.09	0.17
6	A'	233	233	0.20	3.89	0.35	0.52
7	A"	3241	3241	1.04	45.41	0.75	0.86
8	A"	1164	1164	0.01	1.48	0.75	0.86
9	A"	866	866	2.16	0.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.028	0.000
Br2	0.845	-0.717	0.000
Cl3	-1.778	0.930	0.000
H4	0.318	1.548	0.908
H5	0.318	1.548	-0.908

	C1	Br2	Cl3	H4	H5
C1		1.9383	1.7807	1.0942	1.0942
Br2	1.9383		3.0977	2.4967	2.4967
Cl3	1.7807	3.0977		2.3663	2.3663
H4	1.0942	2.4967	2.3663		1.8169
H5	1.0942	2.4967	2.3663	1.8169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.734	Br2	C1	H4	107.548
Br2	C1	H5	107.548	Cl3	C1	H4	108.415
Cl3	C1	H5	108.415	H4	C1	H5	112.245

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

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

States and conformations

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