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	hartrees
Energy at 0K	-499.569781
Energy at 298.15K	-499.572764
HF Energy	-499.147851
Nuclear repulsion energy	51.619052

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	3135	2976	21.70	131.41	0.00	0.01
2	A₁	1405	1334	11.69	0.59	0.31	0.47
3	A₁	776	737	22.27	13.78	0.26	0.41
4	E	3228	3065	3.48	51.18	0.75	0.86
4	E	3228	3065	3.48	51.18	0.75	0.86
5	E	1516	1439	5.58	7.39	0.75	0.86
5	E	1516	1439	5.58	7.39	0.75	0.86
6	E	1048	995	2.64	2.33	0.75	0.86
6	E	1048	995	2.64	2.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.120
Cl2	0.000	0.000	0.654
H3	0.000	1.023	-1.465
H4	0.886	-0.512	-1.465
H5	-0.886	-0.512	-1.465

	C1	Cl2	H3	H4	H5
C1		1.7736	1.0800	1.0800	1.0800
Cl2	1.7736		2.3527	2.3527	2.3527
H3	1.0800	2.3527		1.7726	1.7726
H4	1.0800	2.3527	1.7726		1.7726
H5	1.0800	2.3527	1.7726	1.7726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.621	Cl2	C1	H4	108.621
Cl2	C1	H5	108.621	H3	C1	H4	110.308
H3	C1	H5	110.308	H4	C1	H5	110.308

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

using model chemistry: MP2=FULL/cc-pVTZ

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-pVTZ

States and conformations

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