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	hartrees
Energy at 0K	-499.411896
Energy at 298.15K	-499.414872
HF Energy	-499.117526
Nuclear repulsion energy	51.180216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3123	2969	24.30	125.59	0.01	0.02
2	A₁	1392	1323	15.78	1.71	0.42	0.59
3	A₁	776	738	23.14	13.94	0.30	0.46
4	E	3246	3085	5.35	61.96	0.75	0.86
4	E	3246	3085	5.35	61.96	0.75	0.86
5	E	1489	1415	5.11	12.73	0.75	0.86
5	E	1489	1415	5.11	12.73	0.75	0.86
6	E	1040	988	3.01	4.77	0.75	0.86
6	E	1040	988	3.01	4.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.125
Cl2	0.000	0.000	0.658
H3	0.000	1.038	-1.479
H4	0.899	-0.519	-1.479
H5	-0.899	-0.519	-1.479

	C1	Cl2	H3	H4	H5
C1		1.7837	1.0971	1.0971	1.0971
Cl2	1.7837		2.3766	2.3766	2.3766
H3	1.0971	2.3766		1.7986	1.7986
H4	1.0971	2.3766	1.7986		1.7986
H5	1.0971	2.3766	1.7986	1.7986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.826	Cl2	C1	H4	108.826
Cl2	C1	H5	108.826	H3	C1	H4	110.109
H3	C1	H5	110.109	H4	C1	H5	110.109

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

using model chemistry: MP2=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

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