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	hartrees
Energy at 0K	-499.408307
Energy at 298.15K	-499.411290
HF Energy	-499.118426
Nuclear repulsion energy	51.178109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3114	2977	24.24
2	A₁	1393	1331	15.73
3	A₁	776	742	23.20
4	E	3237	3094	5.45
4	E	3237	3094	5.45
5	E	1488	1423	5.09
5	E	1488	1423	5.09
6	E	1040	994	3.02
6	E	1040	994	3.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.125
Cl2	0.000	0.000	0.658
H3	0.000	1.039	-1.479
H4	0.900	-0.519	-1.479
H5	-0.900	-0.519	-1.479

	C1	Cl2	H3	H4	H5
C1		1.7837	1.0974	1.0974	1.0974
Cl2	1.7837		2.3767	2.3767	2.3767
H3	1.0974	2.3767		1.7992	1.7992
H4	1.0974	2.3767	1.7992		1.7992
H5	1.0974	2.3767	1.7992	1.7992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.818	Cl2	C1	H4	108.818
Cl2	C1	H5	108.818	H3	C1	H4	110.116
H3	C1	H5	110.116	H4	C1	H5	110.116

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

using model chemistry: MP2/cc-pCVDZ

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: MP2/cc-pCVDZ

States and conformations

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