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	hartrees
Energy at 0K	-499.425313
Energy at 298.15K	-499.428278
HF Energy	-499.121956
Nuclear repulsion energy	50.946299

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	3105	2978	24.49	147.68	0.00	0.00
2	A₁	1368	1312	13.44	0.01	0.33	0.49
3	A₁	750	719	25.63	18.06	0.17	0.29
4	E	3225	3093	3.72	49.07	0.75	0.86
4	E	3225	3093	3.72	49.07	0.75	0.86
5	E	1473	1412	4.90	4.00	0.75	0.86
5	E	1473	1412	4.90	4.00	0.75	0.86
6	E	1033	990	2.06	0.61	0.75	0.86
6	E	1033	990	2.06	0.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.135
Cl2	0.000	0.000	0.662
H3	0.000	1.041	-1.478
H4	0.902	-0.521	-1.478
H5	-0.902	-0.521	-1.478

	C1	Cl2	H3	H4	H5
C1		1.7971	1.0961	1.0961	1.0961
Cl2	1.7971		2.3798	2.3798	2.3798
H3	1.0961	2.3798		1.8031	1.8031
H4	1.0961	2.3798	1.8031		1.8031
H5	1.0961	2.3798	1.8031	1.8031

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.236	Cl2	C1	H4	108.236
Cl2	C1	H5	108.236	H3	C1	H4	110.677
H3	C1	H5	110.677	H4	C1	H5	110.677

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

using model chemistry: MP2/aug-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/aug-cc-pVDZ

States and conformations

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