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	hartrees
Energy at 0K	-499.554959
Energy at 298.15K	-499.557940
HF Energy	-499.149047
Nuclear repulsion energy	51.459502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3124	3124	20.98
2	A₁	1406	1406	12.19
3	A₁	766	766	23.26
4	E	3226	3226	4.92
4	E	3226	3226	4.93
5	E	1510	1510	5.28
5	E	1510	1510	5.28
6	E	1046	1046	2.24
6	E	1046	1046	2.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.124
Cl2	0.000	0.000	0.656
H3	0.000	1.026	-1.469
H4	0.889	-0.513	-1.469
H5	-0.889	-0.513	-1.469

	C1	Cl2	H3	H4	H5
C1		1.7796	1.0826	1.0826	1.0826
Cl2	1.7796		2.3597	2.3597	2.3597
H3	1.0826	2.3597		1.7772	1.7772
H4	1.0826	2.3597	1.7772		1.7772
H5	1.0826	2.3597	1.7772	1.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.604	Cl2	C1	H4	108.604
Cl2	C1	H5	108.604	H3	C1	H4	110.324
H3	C1	H5	110.324	H4	C1	H5	110.324

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

using model chemistry: MP3/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: MP3/cc-pCVTZ

States and conformations

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