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	hartrees
Energy at 0K	-499.545200
Energy at 298.15K	-499.548172
HF Energy	-499.141099
Nuclear repulsion energy	51.410267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3103	3103	22.82
2	A₁	1409	1409	13.89
3	A₁	758	758	24.38
4	E	3202	3202	6.01
4	E	3202	3202	6.01
5	E	1508	1508	5.01
5	E	1508	1508	5.01
6	E	1045	1045	2.15
6	E	1045	1045	2.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.125
Cl2	0.000	0.000	0.656
H3	0.000	1.028	-1.470
H4	0.890	-0.514	-1.470
H5	-0.890	-0.514	-1.470

	C1	Cl2	H3	H4	H5
C1		1.7811	1.0842	1.0842	1.0842
Cl2	1.7811		2.3617	2.3617	2.3617
H3	1.0842	2.3617		1.7801	1.7801
H4	1.0842	2.3617	1.7801		1.7801
H5	1.0842	2.3617	1.7801	1.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.567	Cl2	C1	H4	108.567
Cl2	C1	H5	108.567	H3	C1	H4	110.361
H3	C1	H5	110.361	H4	C1	H5	110.361

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

using model chemistry: CCSD/Def2TZVPP

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/Def2TZVPP

States and conformations

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