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	hartrees
Energy at 0K	-499.474564
Energy at 298.15K	-499.477549
HF Energy	-499.133375
Nuclear repulsion energy	51.310841

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	3132	2984	23.96	127.89	0.01	0.02
2	A₁	1443	1375	20.53	2.64	0.52	0.69
3	A₁	772	736	23.83	16.77	0.34	0.50
4	E	3247	3093	6.88	56.59	0.75	0.86
4	E	3247	3093	6.88	56.59	0.75	0.86
5	E	1501	1430	4.72	13.73	0.75	0.86
5	E	1501	1430	4.72	13.73	0.75	0.86
6	E	1061	1011	2.64	6.48	0.75	0.86
6	E	1061	1011	2.64	6.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.127
Cl2	0.000	0.000	0.658
H3	0.000	1.026	-1.476
H4	0.888	-0.513	-1.476
H5	-0.888	-0.513	-1.476

	C1	Cl2	H3	H4	H5
C1		1.7856	1.0835	1.0835	1.0835
Cl2	1.7856		2.3679	2.3679	2.3679
H3	1.0835	2.3679		1.7769	1.7769
H4	1.0835	2.3679	1.7769		1.7769
H5	1.0835	2.3679	1.7769	1.7769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.762	Cl2	C1	H4	108.762
Cl2	C1	H5	108.762	H3	C1	H4	110.171
H3	C1	H5	110.171	H4	C1	H5	110.171

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

using model chemistry: MP2=FULL/TZVP

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/TZVP

States and conformations

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