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	hartrees
Energy at 0K	-499.450620
Energy at 298.15K	-499.453602
HF Energy	-499.104399
Nuclear repulsion energy	51.421298

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	3141	2966	16.14	93.66	0.01	0.01
2	A₁	1413	1335	13.21	1.62	0.52	0.69
3	A₁	778	735	24.34	13.02	0.24	0.39
4	E	3258	3077	1.70	49.58	0.75	0.86
4	E	3258	3077	1.70	49.58	0.75	0.86
5	E	1514	1430	5.09	11.47	0.75	0.86
5	E	1514	1430	5.09	11.47	0.75	0.86
6	E	1054	996	3.25	3.94	0.75	0.86
6	E	1054	996	3.25	3.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.123
Cl2	0.000	0.000	0.656
H3	0.000	1.030	-1.469
H4	0.892	-0.515	-1.469
H5	-0.892	-0.515	-1.469

	C1	Cl2	H3	H4	H5
C1		1.7792	1.0865	1.0865	1.0865
Cl2	1.7792		2.3617	2.3617	2.3617
H3	1.0865	2.3617		1.7839	1.7839
H4	1.0865	2.3617	1.7839		1.7839
H5	1.0865	2.3617	1.7839	1.7839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.570	Cl2	C1	H4	108.570
Cl2	C1	H5	108.570	H3	C1	H4	110.357
H3	C1	H5	110.357	H4	C1	H5	110.357

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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