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	hartrees
Energy at 0K	-499.509533
Energy at 298.15K	-499.512515
HF Energy	-499.104432
Nuclear repulsion energy	51.411105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3138	2955	18.16
2	A₁	1424	1341	13.92
3	A₁	771	726	24.37
4	E	3244	3054	3.37
4	E	3244	3054	3.37
5	E	1529	1439	4.75
5	E	1529	1439	4.75
6	E	1060	998	2.82
6	E	1060	998	2.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.125
Cl2	0.000	0.000	0.656
H3	0.000	1.029	-1.470
H4	0.891	-0.514	-1.470
H5	-0.891	-0.514	-1.470

	C1	Cl2	H3	H4	H5
C1		1.7813	1.0853	1.0853	1.0853
Cl2	1.7813		2.3626	2.3626	2.3626
H3	1.0853	2.3626		1.7820	1.7820
H4	1.0853	2.3626	1.7820		1.7820
H5	1.0853	2.3626	1.7820	1.7820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.565	Cl2	C1	H4	108.565
Cl2	C1	H5	108.565	H3	C1	H4	110.362
H3	C1	H5	110.362	H4	C1	H5	110.362

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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