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	hartrees
Energy at 0K	-499.560314
Energy at 298.15K	-499.563276
HF Energy	-499.141025
Nuclear repulsion energy	51.306792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3082	3082
2	A₁	1392	1392
3	A₁	749	749
4	E	3185	3185
4	E	3185	3185
5	E	1495	1495
5	E	1495	1495
6	E	1033	1033
6	E	1032	1032

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.127
Cl2	0.000	0.000	0.658
H3	0.000	1.030	-1.472
H4	0.892	-0.515	-1.472
H5	-0.892	-0.515	-1.472

	C1	Cl2	H3	H4	H5
C1		1.7850	1.0860	1.0860	1.0860
Cl2	1.7850		2.3658	2.3658	2.3658
H3	1.0860	2.3658		1.7836	1.7836
H4	1.0860	2.3658	1.7836		1.7836
H5	1.0860	2.3658	1.7836	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.522	Cl2	C1	H4	108.522
Cl2	C1	H5	108.522	H3	C1	H4	110.403
H3	C1	H5	110.403	H4	C1	H5	110.403

All results from a given calculation for CH₃Cl (Methyl chloride)

using model chemistry: MP4/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 CH3Cl (Methyl chloride)

using model chemistry: MP4/Def2TZVPP

States and conformations

All results from a given calculation for CH₃Cl (Methyl chloride)