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	hartrees
Energy at 0K	-499.465044
Energy at 298.15K	-499.467991
HF Energy	-499.121653
Nuclear repulsion energy	50.644805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3063	2995
2	A₁	1355	1325
3	A₁	721	705
4	E	3174	3103
4	E	3174	3103
5	E	1461	1428
5	E	1460	1428
6	E	1018	995
6	E	1018	995

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.144
Cl2	0.000	0.000	0.666
H3	0.000	1.045	-1.485
H4	0.905	-0.523	-1.485
H5	-0.905	-0.523	-1.485

	C1	Cl2	H3	H4	H5
C1		1.8099	1.0996	1.0996	1.0996
Cl2	1.8099		2.3918	2.3918	2.3918
H3	1.0996	2.3918		1.8103	1.8103
H4	1.0996	2.3918	1.8103		1.8103
H5	1.0996	2.3918	1.8103	1.8103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.093	Cl2	C1	H4	108.093
Cl2	C1	H5	108.093	H3	C1	H4	110.813
H3	C1	H5	110.813	H4	C1	H5	110.813

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

using model chemistry: QCISD(T)/aug-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: QCISD(T)/aug-cc-pVDZ

States and conformations

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