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	hartrees
Energy at 0K	-499.684258
Energy at 298.15K	-499.687303
HF Energy	-499.149869
Nuclear repulsion energy	51.582471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3119	3119	23.28
2	A₁	1414	1414	11.74
3	A₁	766	766	23.38
4	E	3194	3194	3.98
4	E	3194	3194	3.98
5	E	1524	1524	5.56
5	E	1524	1524	5.56
6	E	1053	1053	1.75
6	E	1053	1053	1.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.121
Cl2	0.000	0.000	0.654
H3	0.000	1.026	-1.464
H4	0.889	-0.513	-1.464
H5	-0.889	-0.513	-1.464

	C1	Cl2	H3	H4	H5
C1		1.7744	1.0821	1.0821	1.0821
Cl2	1.7744		2.3534	2.3534	2.3534
H3	1.0821	2.3534		1.7773	1.7773
H4	1.0821	2.3534	1.7773		1.7773
H5	1.0821	2.3534	1.7773	1.7773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.510	Cl2	C1	H4	108.510
Cl2	C1	H5	108.510	H3	C1	H4	110.415
H3	C1	H5	110.415	H4	C1	H5	110.415

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/aug-cc-pV(T+d)Z

States and conformations

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