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	hartrees
Energy at 0K	-499.406934
Energy at 298.15K	-499.409914
HF Energy	-499.117626
Nuclear repulsion energy	51.115251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3149	2903	24.83
2	A₁	1414	1304	18.40
3	A₁	770	710	27.19
4	E	3261	3006	7.16
4	E	3261	3006	7.16
5	E	1509	1391	4.74
5	E	1509	1391	4.74
6	E	1052	970	2.45
6	E	1052	970	2.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.129
Cl2	0.000	0.000	0.659
H3	0.000	1.038	-1.479
H4	0.899	-0.519	-1.479
H5	-0.899	-0.519	-1.479

	C1	Cl2	H3	H4	H5
C1		1.7883	1.0953	1.0953	1.0953
Cl2	1.7883		2.3773	2.3773	2.3773
H3	1.0953	2.3773		1.7974	1.7974
H4	1.0953	2.3773	1.7974		1.7974
H5	1.0953	2.3773	1.7974	1.7974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.668	Cl2	C1	H4	108.668
Cl2	C1	H5	108.668	H3	C1	H4	110.263
H3	C1	H5	110.263	H4	C1	H5	110.263

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

using model chemistry: CISD/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: CISD/cc-pVDZ

States and conformations

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