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	hartrees
Energy at 0K	-499.612539
Energy at 298.15K	-499.615523
HF Energy	-499.148930
Nuclear repulsion energy	51.545996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3141	3141	21.22
2	A₁	1415	1415	10.90
3	A₁	770	770	23.04
4	E	3220	3220	3.10
4	E	3220	3220	3.10
5	E	1526	1526	5.89
5	E	1526	1526	5.89
6	E	1054	1054	1.87
6	E	1054	1054	1.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.123
Cl2	0.000	0.000	0.655
H3	0.000	1.025	-1.464
H4	0.888	-0.513	-1.464
H5	-0.888	-0.513	-1.464

	C1	Cl2	H3	H4	H5
C1		1.7772	1.0805	1.0805	1.0805
Cl2	1.7772		2.3539	2.3539	2.3539
H3	1.0805	2.3539		1.7754	1.7754
H4	1.0805	2.3539	1.7754		1.7754
H5	1.0805	2.3539	1.7754	1.7754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.441	Cl2	C1	H4	108.441
Cl2	C1	H5	108.441	H3	C1	H4	110.482
H3	C1	H5	110.482	H4	C1	H5	110.482

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

using model chemistry: MP3=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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