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	hartrees
Energy at 0K	-499.910720
Energy at 298.15K	-499.913703
HF Energy	-499.149024
Nuclear repulsion energy	51.640214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3121	2968	21.46
2	A₁	1399	1330	11.36
3	A₁	774	736	22.67
4	E	3232	3074	3.46
4	E	3232	3074	3.46
5	E	1507	1433	5.62
5	E	1507	1433	5.62
6	E	1046	995	2.61
6	E	1046	995	2.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.118
Cl2	0.000	0.000	0.653
H3	0.000	1.025	-1.465
H4	0.888	-0.513	-1.465
H5	-0.888	-0.513	-1.465

	C1	Cl2	H3	H4	H5
C1		1.7713	1.0820	1.0820	1.0820
Cl2	1.7713		2.3527	2.3527	2.3527
H3	1.0820	2.3527		1.7756	1.7756
H4	1.0820	2.3527	1.7756		1.7756
H5	1.0820	2.3527	1.7756	1.7756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.664	Cl2	C1	H4	108.664
Cl2	C1	H5	108.664	H3	C1	H4	110.266
H3	C1	H5	110.266	H4	C1	H5	110.266

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pCVTZ

States and conformations

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