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	hartrees
Energy at 0K	-499.557549
Energy at 298.15K	-499.560529
HF Energy	-499.148853
Nuclear repulsion energy	51.355949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3102	2969	22.42
2	A₁	1413	1352	12.08
3	A₁	762	730	23.99
4	E	3204	3066	3.75
4	E	3204	3066	3.75
5	E	1515	1450	5.48
5	E	1515	1450	5.48
6	E	1054	1009	1.66
6	E	1054	1009	1.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.127
Cl2	0.000	0.000	0.657
H3	0.000	1.029	-1.469
H4	0.891	-0.515	-1.469
H5	-0.891	-0.515	-1.469

	C1	Cl2	H3	H4	H5
C1		1.7839	1.0847	1.0847	1.0847
Cl2	1.7839		2.3621	2.3621	2.3621
H3	1.0847	2.3621		1.7828	1.7828
H4	1.0847	2.3621	1.7828		1.7828
H5	1.0847	2.3621	1.7828	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.388	Cl2	C1	H4	108.388
Cl2	C1	H5	108.388	H3	C1	H4	110.532
H3	C1	H5	110.532	H4	C1	H5	110.532

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

using model chemistry: CCD/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: CCD/aug-cc-pVTZ

States and conformations

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