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	hartrees
Energy at 0K	-499.496731
Energy at 298.15K	-499.499699
HF Energy	-499.104312
Nuclear repulsion energy	51.174892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3110	3110
2	A₁	1404	1404
3	A₁	754	754
4	E	3218	3218
4	E	3218	3218
5	E	1505	1505
5	E	1505	1505
6	E	1042	1042
6	E	1042	1042

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.131
Cl2	0.000	0.000	0.659
H3	0.000	1.033	-1.475
H4	0.894	-0.516	-1.475
H5	-0.894	-0.516	-1.475

	C1	Cl2	H3	H4	H5
C1		1.7899	1.0886	1.0886	1.0886
Cl2	1.7899		2.3712	2.3712	2.3712
H3	1.0886	2.3712		1.7884	1.7884
H4	1.0886	2.3712	1.7884		1.7884
H5	1.0886	2.3712	1.7884	1.7884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.465	Cl2	C1	H4	108.465
Cl2	C1	H5	108.465	H3	C1	H4	110.458
H3	C1	H5	110.458	H4	C1	H5	110.458

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

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

States and conformations

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