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	hartrees
Energy at 0K	-499.484182
Energy at 298.15K	-499.487157
HF Energy	-499.104359
Nuclear repulsion energy	51.240665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3122	2957	18.29
2	A₁	1416	1342	14.73
3	A₁	761	721	25.16
4	E	3228	3058	3.63
4	E	3228	3058	3.63
5	E	1514	1434	4.54
5	E	1514	1434	4.54
6	E	1052	996	2.63
6	E	1052	996	2.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.129
Cl2	0.000	0.000	0.658
H3	0.000	1.032	-1.474
H4	0.893	-0.516	-1.474
H5	-0.893	-0.516	-1.474

	C1	Cl2	H3	H4	H5
C1		1.7873	1.0877	1.0877	1.0877
Cl2	1.7873		2.3685	2.3685	2.3685
H3	1.0877	2.3685		1.7868	1.7868
H4	1.0877	2.3685	1.7868		1.7868
H5	1.0877	2.3685	1.7868	1.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.484	Cl2	C1	H4	108.484
Cl2	C1	H5	108.484	H3	C1	H4	110.440
H3	C1	H5	110.440	H4	C1	H5	110.440

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

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

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