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	hartrees
Energy at 0K	-499.583921
Energy at 298.15K	-499.586904
HF Energy	-499.148882
Nuclear repulsion energy	51.622021

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	3131	2979	22.07	148.81	0.00	0.00
2	A₁	1405	1336	10.85	0.04	0.03	0.06
3	A₁	774	736	22.69	16.27	0.15	0.26
4	E	3221	3064	2.17	47.27	0.75	0.86
4	E	3221	3064	2.17	47.27	0.75	0.86
5	E	1520	1446	5.91	3.70	0.75	0.86
5	E	1520	1446	5.91	3.70	0.75	0.86
6	E	1051	1000	2.12	0.46	0.75	0.86
6	E	1051	1000	2.12	0.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.120
Cl2	0.000	0.000	0.653
H3	0.000	1.026	-1.463
H4	0.888	-0.513	-1.463
H5	-0.888	-0.513	-1.463

	C1	Cl2	H3	H4	H5
C1		1.7731	1.0813	1.0813	1.0813
Cl2	1.7731		2.3513	2.3513	2.3513
H3	1.0813	2.3513		1.7763	1.7763
H4	1.0813	2.3513	1.7763		1.7763
H5	1.0813	2.3513	1.7763	1.7763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.479	Cl2	C1	H4	108.479
Cl2	C1	H5	108.479	H3	C1	H4	110.445
H3	C1	H5	110.445	H4	C1	H5	110.445

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

using model chemistry: MP2=FULL/aug-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/aug-cc-pVTZ

States and conformations

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