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	hartrees
Energy at 0K	-499.456815
Energy at 298.15K	-499.459775
HF Energy	-499.122204
Nuclear repulsion energy	50.780668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3081	3081	25.17
2	A₁	1371	1371	14.94
3	A₁	736	736	26.53
4	E	3189	3189	5.83
4	E	3189	3189	5.83
5	E	1473	1473	4.24
5	E	1473	1473	4.24
6	E	1031	1031	1.43
6	E	1031	1031	1.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.140
Cl2	0.000	0.000	0.664
H3	0.000	1.043	-1.483
H4	0.903	-0.521	-1.483
H5	-0.903	-0.521	-1.483

	C1	Cl2	H3	H4	H5
C1		1.8043	1.0976	1.0976	1.0976
Cl2	1.8043		2.3866	2.3866	2.3866
H3	1.0976	2.3866		1.8062	1.8062
H4	1.0976	2.3866	1.8062		1.8062
H5	1.0976	2.3866	1.8062	1.8062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.178	Cl2	C1	H4	108.178
Cl2	C1	H5	108.178	H3	C1	H4	110.733
H3	C1	H5	110.733	H4	C1	H5	110.733

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

using model chemistry: CCSD/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/daug-cc-pVDZ

States and conformations

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