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	hartrees
Energy at 0K	-499.405916
Energy at 298.15K	-499.408900
HF Energy	-499.117628
Nuclear repulsion energy	51.153814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3154	2914	24.31
2	A₁	1418	1310	17.83
3	A₁	777	718	26.39
4	E	3266	3017	6.91
4	E	3266	3017	6.91
5	E	1510	1395	4.81
5	E	1510	1395	4.81
6	E	1054	974	2.48
6	E	1054	974	2.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.128
Cl2	0.000	0.000	0.659
H3	0.000	1.037	-1.479
H4	0.898	-0.519	-1.479
H5	-0.898	-0.519	-1.479

	C1	Cl2	H3	H4	H5
C1		1.7864	1.0952	1.0952	1.0952
Cl2	1.7864		2.3760	2.3760	2.3760
H3	1.0952	2.3760		1.7967	1.7967
H4	1.0952	2.3760	1.7967		1.7967
H5	1.0952	2.3760	1.7967	1.7967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.702	Cl2	C1	H4	108.702
Cl2	C1	H5	108.702	H3	C1	H4	110.229
H3	C1	H5	110.229	H4	C1	H5	110.229

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

using model chemistry: CID/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: CID/cc-pVDZ

States and conformations

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