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	hartrees
Energy at 0K	-499.545595
Energy at 298.15K	-499.548566
HF Energy	-499.141091
Nuclear repulsion energy	51.395234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3100	3100	23.16
2	A₁	1408	1408	14.08
3	A₁	756	756	24.46
4	E	3199	3199	6.22
4	E	3199	3199	6.22
5	E	1508	1508	4.94
5	E	1508	1508	4.94
6	E	1044	1044	2.13
6	E	1044	1044	2.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.125
Cl2	0.000	0.000	0.657
H3	0.000	1.028	-1.470
H4	0.890	-0.514	-1.470
H5	-0.890	-0.514	-1.470

	C1	Cl2	H3	H4	H5
C1		1.7817	1.0844	1.0844	1.0844
Cl2	1.7817		2.3623	2.3623	2.3623
H3	1.0844	2.3623		1.7806	1.7806
H4	1.0844	2.3623	1.7806		1.7806
H5	1.0844	2.3623	1.7806	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.561	Cl2	C1	H4	108.561
Cl2	C1	H5	108.561	H3	C1	H4	110.366
H3	C1	H5	110.366	H4	C1	H5	110.366

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

using model chemistry: QCISD/Def2TZVPP

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: QCISD/Def2TZVPP

States and conformations

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