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	hartrees
Energy at 0K	-499.407906
Energy at 298.15K
HF Energy	-499.119234
Nuclear repulsion energy	51.306813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3116	3116	25.03
2	A₁	1394	1394	15.57
3	A₁	780	780	23.41
4	E	3236	3236	5.74
4	E	3236	3236	5.74
5	E	1487	1487	5.04
5	E	1487	1487	5.04
6	E	1041	1041	3.06
6	E	1041	1041	3.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.121
Cl2	0.000	0.000	0.656
H3	0.000	1.039	-1.477
H4	0.900	-0.519	-1.477
H5	-0.900	-0.519	-1.477

	C1	Cl2	H3	H4	H5
C1		1.7767	1.0984	1.0984	1.0984
Cl2	1.7767		2.3731	2.3731	2.3731
H3	1.0984	2.3731		1.7992	1.7992
H4	1.0984	2.3731	1.7992		1.7992
H5	1.0984	2.3731	1.7992	1.7992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.966	Cl2	C1	H4	108.966
Cl2	C1	H5	108.966	H3	C1	H4	109.972
H3	C1	H5	109.972	H4	C1	H5	109.972

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

using model chemistry: MP2/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: MP2/cc-pV(D+d)Z

States and conformations

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