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	hartrees
Energy at 0K	-499.615346
Energy at 298.15K	-499.618323
HF Energy	-499.149039
Nuclear repulsion energy	51.494916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3127	3127	22.93
2	A₁	1415	1415	11.94
3	A₁	766	766	23.59
4	E	3197	3197	3.85
4	E	3197	3197	3.85
5	E	1525	1525	5.57
5	E	1525	1525	5.57
6	E	1051	1051	1.68
6	E	1051	1051	1.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.124
Cl2	0.000	0.000	0.655
H3	0.000	1.026	-1.465
H4	0.889	-0.513	-1.465
H5	-0.889	-0.513	-1.465

	C1	Cl2	H3	H4	H5
C1		1.7790	1.0818	1.0818	1.0818
Cl2	1.7790		2.3559	2.3559	2.3559
H3	1.0818	2.3559		1.7778	1.7778
H4	1.0818	2.3559	1.7778		1.7778
H5	1.0818	2.3559	1.7778	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.406	Cl2	C1	H4	108.406
Cl2	C1	H5	108.406	H3	C1	H4	110.515
H3	C1	H5	110.515	H4	C1	H5	110.515

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

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

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-pVTZ

States and conformations

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