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	hartrees
Energy at 0K	-499.476261
Energy at 298.15K	-499.479210
HF Energy	-499.122129
Nuclear repulsion energy	50.699754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3065	3065
2	A₁	1359	1359
3	A₁	722	722
4	E	3177	3177
4	E	3177	3177
5	E	1464	1464
5	E	1464	1464
6	E	1020	1020
6	E	1020	1020

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.143
Cl2	0.000	0.000	0.665
H3	0.000	1.044	-1.485
H4	0.904	-0.522	-1.485
H5	-0.904	-0.522	-1.485

	C1	Cl2	H3	H4	H5
C1		1.8079	1.0983	1.0983	1.0983
Cl2	1.8079		2.3897	2.3897	2.3897
H3	1.0983	2.3897		1.8077	1.8077
H4	1.0983	2.3897	1.8077		1.8077
H5	1.0983	2.3897	1.8077	1.8077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.137	Cl2	C1	H4	108.137
Cl2	C1	H5	108.137	H3	C1	H4	110.772
H3	C1	H5	110.772	H4	C1	H5	110.772

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

using model chemistry: CCSD(T)=FULL/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 CH3Cl (Methyl chloride)

using model chemistry: CCSD(T)=FULL/daug-cc-pVDZ

States and conformations

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