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	hartrees
Energy at 0K	-499.521279
Energy at 298.15K	-499.524333
HF Energy	-499.149913
Nuclear repulsion energy	51.605049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3160	3160	23.06
2	A₁	1442	1442	12.83
3	A₁	777	777	26.96
4	E	3261	3261	3.68
4	E	3261	3261	3.68
5	E	1544	1544	5.87
5	E	1544	1544	5.87
6	E	1075	1075	1.70
6	E	1075	1075	1.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.121
Cl2	0.000	0.000	0.654
H3	0.000	1.024	-1.463
H4	0.887	-0.512	-1.463
H5	-0.887	-0.512	-1.463

	C1	Cl2	H3	H4	H5
C1		1.7748	1.0799	1.0799	1.0799
Cl2	1.7748		2.3515	2.3515	2.3515
H3	1.0799	2.3515		1.7742	1.7742
H4	1.0799	2.3515	1.7742		1.7742
H5	1.0799	2.3515	1.7742	1.7742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.456	Cl2	C1	H4	108.456
Cl2	C1	H5	108.456	H3	C1	H4	110.467
H3	C1	H5	110.467	H4	C1	H5	110.467

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

using model chemistry: CID/aug-cc-pV(T+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: CID/aug-cc-pV(T+d)Z

States and conformations

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