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	hartrees
Energy at 0K	-499.632690
Energy at 298.15K	-499.635655
HF Energy	-499.149013
Nuclear repulsion energy	51.355723

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3106	3106
2	A₁	1396	1396
3	A₁	751	751
4	E	3177	3177
4	E	3177	3177
5	E	1511	1511
5	E	1511	1511
6	E	1038	1038
6	E	1038	1038

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.128
Cl2	0.000	0.000	0.657
H3	0.000	1.029	-1.468
H4	0.891	-0.514	-1.468
H5	-0.891	-0.514	-1.468

	C1	Cl2	H3	H4	H5
C1		1.7848	1.0835	1.0835	1.0835
Cl2	1.7848		2.3608	2.3608	2.3608
H3	1.0835	2.3608		1.7818	1.7818
H4	1.0835	2.3608	1.7818		1.7818
H5	1.0835	2.3608	1.7818	1.7818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.295	Cl2	C1	H4	108.295
Cl2	C1	H5	108.295	H3	C1	H4	110.622
H3	C1	H5	110.622	H4	C1	H5	110.622

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

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

States and conformations

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