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	hartrees
Energy at 0K	-499.381459
Energy at 298.15K	-499.384444
HF Energy	-499.092795
Nuclear repulsion energy	51.250139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3123	2955	22.45
2	A₁	1457	1380	14.59
3	A₁	777	736	22.40
4	E	3225	3053	7.54
4	E	3225	3053	7.54
5	E	1533	1451	5.71
5	E	1533	1451	5.71
6	E	1077	1019	3.66
6	E	1077	1019	3.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.127
Cl2	0.000	0.000	0.659
H3	0.000	1.033	-1.478
H4	0.895	-0.517	-1.478
H5	-0.895	-0.517	-1.478

	C1	Cl2	H3	H4	H5
C1		1.7858	1.0911	1.0911	1.0911
Cl2	1.7858		2.3732	2.3732	2.3732
H3	1.0911	2.3732		1.7896	1.7896
H4	1.0911	2.3732	1.7896		1.7896
H5	1.0911	2.3732	1.7896	1.7896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.746	Cl2	C1	H4	108.746
Cl2	C1	H5	108.746	H3	C1	H4	110.187
H3	C1	H5	110.187	H4	C1	H5	110.187

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

using model chemistry: CCD/6-31G*

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: CCD/6-31G*

States and conformations

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