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	hartrees
Energy at 0K	-499.396677
Energy at 298.15K	-499.399668
HF Energy	-499.098739
Nuclear repulsion energy	51.498651

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	3164	2972	26.22	113.70	0.01	0.01
2	A₁	1460	1371	20.64	2.53	0.71	0.83
3	A₁	781	734	23.75	18.17	0.26	0.41
4	E	3282	3083	5.61	59.82	0.75	0.86
4	E	3282	3083	5.61	59.82	0.75	0.86
5	E	1528	1435	4.92	11.10	0.75	0.86
5	E	1528	1435	4.92	11.10	0.75	0.86
6	E	1075	1009	2.96	4.53	0.75	0.86
6	E	1075	1009	2.96	4.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.121
Cl2	0.000	0.000	0.655
H3	0.000	1.025	-1.472
H4	0.888	-0.513	-1.472
H5	-0.888	-0.513	-1.472

	C1	Cl2	H3	H4	H5
C1		1.7763	1.0836	1.0836	1.0836
Cl2	1.7763		2.3616	2.3616	2.3616
H3	1.0836	2.3616		1.7755	1.7755
H4	1.0836	2.3616	1.7755		1.7755
H5	1.0836	2.3616	1.7755	1.7755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.912	Cl2	C1	H4	108.912
Cl2	C1	H5	108.912	H3	C1	H4	110.025
H3	C1	H5	110.025	H4	C1	H5	110.025

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

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

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