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	hartrees
Energy at 0K	-497.030529
Energy at 298.15K	-497.033493
HF Energy	-496.794679
Nuclear repulsion energy	50.690841

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3137	2931	16.28
2	A₁	1476	1379	10.87
3	A₁	699	653	27.03
4	E	3228	3016	5.46
4	E	3228	3016	5.46
5	E	1585	1481	7.80
5	E	1585	1481	7.80
6	E	1085	1014	4.46
6	E	1085	1014	4.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.147
Cl2	0.000	0.000	0.667
H3	0.000	1.033	-1.487
H4	0.895	-0.517	-1.487
H5	-0.895	-0.517	-1.487

	C1	Cl2	H3	H4	H5
C1		1.8141	1.0879	1.0879	1.0879
Cl2	1.8141		2.3893	2.3893	2.3893
H3	1.0879	2.3893		1.7899	1.7899
H4	1.0879	2.3893	1.7899		1.7899
H5	1.0879	2.3893	1.7899	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.218	Cl2	C1	H4	108.218
Cl2	C1	H5	108.218	H3	C1	H4	110.695
H3	C1	H5	110.695	H4	C1	H5	110.695

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

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

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