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	hartrees
Energy at 0K	-499.580441
Energy at 298.15K
HF Energy	-499.149897
Nuclear repulsion energy	51.267435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3075	3075
2	A₁	1392	1392
3	A₁	742	742
4	E	3178	3178
4	E	3178	3178
5	E	1501	1501
5	E	1501	1501
6	E	1040	1040
6	E	1039	1039

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.129
Cl2	0.000	0.000	0.658
H3	0.000	1.032	-1.470
H4	0.894	-0.516	-1.470
H5	-0.894	-0.516	-1.470

	C1	Cl2	H3	H4	H5
C1		1.7871	1.0867	1.0867	1.0867
Cl2	1.7871		2.3649	2.3649	2.3649
H3	1.0867	2.3649		1.7872	1.7872
H4	1.0867	2.3649	1.7872		1.7872
H5	1.0867	2.3649	1.7872	1.7872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.279	Cl2	C1	H4	108.279
Cl2	C1	H5	108.279	H3	C1	H4	110.636
H3	C1	H5	110.636	H4	C1	H5	110.636

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

using model chemistry: CCSD(T)/aug-cc-pCVTZ

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)/aug-cc-pCVTZ

States and conformations

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