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	hartrees
Energy at 0K	-499.508365
Energy at 298.15K	-499.511351
HF Energy	-499.104467
Nuclear repulsion energy	51.463930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	3164	15.82
2	A₁	1428	1428	12.69
3	A₁	779	779	23.70
4	E	3272	3272	2.44
4	E	3272	3272	2.44
5	E	1532	1532	5.15
5	E	1532	1532	5.15
6	E	1062	1062	3.07
6	E	1062	1062	3.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.123
Cl2	0.000	0.000	0.656
H3	0.000	1.026	-1.470
H4	0.889	-0.513	-1.470
H5	-0.889	-0.513	-1.470

	C1	Cl2	H3	H4	H5
C1		1.7786	1.0836	1.0836	1.0836
Cl2	1.7786		2.3605	2.3605	2.3605
H3	1.0836	2.3605		1.7779	1.7779
H4	1.0836	2.3605	1.7779		1.7779
H5	1.0836	2.3605	1.7779	1.7779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.679	Cl2	C1	H4	108.679
Cl2	C1	H5	108.679	H3	C1	H4	110.252
H3	C1	H5	110.252	H4	C1	H5	110.252

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

using model chemistry: MP3=FULL/6-31G(2df,p)

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: MP3=FULL/6-31G(2df,p)

States and conformations

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