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	hartrees
Energy at 0K	-499.517831
Energy at 298.15K	-499.520824
HF Energy	-499.149097
Nuclear repulsion energy	51.591155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3159	3159	23.28
2	A₁	1434	1434	13.96
3	A₁	775	775	26.85
4	E	3261	3261	5.53
4	E	3261	3261	5.53
5	E	1537	1537	5.34
5	E	1537	1537	5.34
6	E	1066	1066	2.10
6	E	1066	1066	2.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.121
Cl2	0.000	0.000	0.654
H3	0.000	1.023	-1.465
H4	0.886	-0.512	-1.465
H5	-0.886	-0.512	-1.465

	C1	Cl2	H3	H4	H5
C1		1.7754	1.0794	1.0794	1.0794
Cl2	1.7754		2.3532	2.3532	2.3532
H3	1.0794	2.3532		1.7722	1.7722
H4	1.0794	2.3532	1.7722		1.7722
H5	1.0794	2.3532	1.7722	1.7722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.569	Cl2	C1	H4	108.569
Cl2	C1	H5	108.569	H3	C1	H4	110.358
H3	C1	H5	110.358	H4	C1	H5	110.358

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

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

States and conformations

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