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	hartrees
Energy at 0K	-499.466269
Energy at 298.15K	-499.469229
HF Energy	-499.122269
Nuclear repulsion energy	50.828456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3085	3085	25.15
2	A₁	1374	1374	14.74
3	A₁	737	737	26.25
4	E	3195	3195	5.73
4	E	3195	3195	5.73
5	E	1475	1475	4.31
5	E	1475	1475	4.31
6	E	1031	1031	1.46
6	E	1031	1031	1.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.139
Cl2	0.000	0.000	0.663
H3	0.000	1.042	-1.482
H4	0.902	-0.521	-1.482
H5	-0.902	-0.521	-1.482

	C1	Cl2	H3	H4	H5
C1		1.8025	1.0966	1.0966	1.0966
Cl2	1.8025		2.3848	2.3848	2.3848
H3	1.0966	2.3848		1.8042	1.8042
H4	1.0966	2.3848	1.8042		1.8042
H5	1.0966	2.3848	1.8042	1.8042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.215	Cl2	C1	H4	108.215
Cl2	C1	H5	108.215	H3	C1	H4	110.698
H3	C1	H5	110.698	H4	C1	H5	110.698

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

using model chemistry: CCSD=FULL/daug-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: CCSD=FULL/daug-cc-pVDZ

States and conformations

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