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	hartrees
Energy at 0K	-499.625095
Energy at 298.15K	-499.628083
HF Energy	-499.140372
Nuclear repulsion energy	51.716121

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	3126	2947	21.90	131.97	0.00	0.00
2	A₁	1413	1332	10.69	0.01	0.35	0.52
3	A₁	785	740	22.90	15.27	0.17	0.28
4	E	3234	3049	2.23	47.74	0.75	0.86
4	E	3234	3049	2.23	47.74	0.75	0.86
5	E	1517	1430	6.05	4.09	0.75	0.86
5	E	1517	1430	6.05	4.09	0.75	0.86
6	E	1057	997	2.52	0.65	0.75	0.86
6	E	1057	997	2.52	0.65	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.116
Cl2	0.000	0.000	0.652
H3	0.000	1.025	-1.462
H4	0.888	-0.513	-1.462
H5	-0.888	-0.513	-1.462

	C1	Cl2	H3	H4	H5
C1		1.7676	1.0824	1.0824	1.0824
Cl2	1.7676		2.3498	2.3498	2.3498
H3	1.0824	2.3498		1.7760	1.7760
H4	1.0824	2.3498	1.7760		1.7760
H5	1.0824	2.3498	1.7760	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.682	Cl2	C1	H4	108.682
Cl2	C1	H5	108.682	H3	C1	H4	110.249
H3	C1	H5	110.249	H4	C1	H5	110.249

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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