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	hartrees
Energy at 0K	-499.412038
Energy at 298.15K
HF Energy	-499.119385
Nuclear repulsion energy	51.263219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3148	3148	25.49
2	A₁	1417	1417	17.71
3	A₁	773	773	27.02
4	E	3258	3258	7.42
4	E	3258	3258	7.42
5	E	1509	1509	4.76
5	E	1509	1509	4.76
6	E	1054	1054	2.52
6	E	1054	1054	2.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.124
Cl2	0.000	0.000	0.657
H3	0.000	1.037	-1.477
H4	0.898	-0.519	-1.477
H5	-0.898	-0.519	-1.477

	C1	Cl2	H3	H4	H5
C1		1.7809	1.0955	1.0955	1.0955
Cl2	1.7809		2.3724	2.3724	2.3724
H3	1.0955	2.3724		1.7963	1.7963
H4	1.0955	2.3724	1.7963		1.7963
H5	1.0955	2.3724	1.7963	1.7963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.786	Cl2	C1	H4	108.786
Cl2	C1	H5	108.786	H3	C1	H4	110.148
H3	C1	H5	110.148	H4	C1	H5	110.148

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

using model chemistry: CISD/cc-pV(D+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: CISD/cc-pV(D+d)Z

States and conformations

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