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	hartrees
Energy at 0K	-499.433437
Energy at 298.15K	-499.436403
HF Energy	-499.117356
Nuclear repulsion energy	50.937354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	2968	25.46
2	A₁	1390	1334	18.14
3	A₁	755	724	24.21
4	E	3204	3074	8.15
4	E	3204	3074	8.15
5	E	1484	1424	4.25
5	E	1484	1424	4.25
6	E	1034	992	2.35
6	E	1034	992	2.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.132
Cl2	0.000	0.000	0.662
H3	0.000	1.042	-1.485
H4	0.903	-0.521	-1.485
H5	-0.903	-0.521	-1.485

	C1	Cl2	H3	H4	H5
C1		1.7937	1.1004	1.1004	1.1004
Cl2	1.7937		2.3864	2.3864	2.3864
H3	1.1004	2.3864		1.8050	1.8050
H4	1.1004	2.3864	1.8050		1.8050
H5	1.1004	2.3864	1.8050	1.8050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.723	Cl2	C1	H4	108.723
Cl2	C1	H5	108.723	H3	C1	H4	110.209
H3	C1	H5	110.209	H4	C1	H5	110.209

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

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

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