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	hartrees
Energy at 0K	-499.504111
Energy at 298.15K
HF Energy	-499.119109
Nuclear repulsion energy	51.120479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3089	3089
2	A₁	1385	1385
3	A₁	758	758
4	E	3201	3201
4	E	3201	3201
5	E	1481	1481
5	E	1480	1480
6	E	1030	1030
6	E	1030	1030

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.125
Cl2	0.000	0.000	0.659
H3	0.000	1.041	-1.483
H4	0.901	-0.520	-1.483
H5	-0.901	-0.520	-1.483

	C1	Cl2	H3	H4	H5
C1		1.7843	1.1005	1.1005	1.1005
Cl2	1.7843		2.3811	2.3811	2.3811
H3	1.1005	2.3811		1.8029	1.8029
H4	1.1005	2.3811	1.8029		1.8029
H5	1.1005	2.3811	1.8029	1.8029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.944	Cl2	C1	H4	108.944
Cl2	C1	H5	108.944	H3	C1	H4	109.993
H3	C1	H5	109.993	H4	C1	H5	109.993

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

using model chemistry: MP4=FULL/cc-pV(D+d)Z

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: MP4=FULL/cc-pV(D+d)Z

States and conformations

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