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	hartrees
Energy at 0K	-499.564083
Energy at 298.15K
HF Energy	-499.149971
Nuclear repulsion energy	51.375387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	3094	23.37
2	A₁	1409	1409	12.47
3	A₁	753	753	24.29
4	E	3195	3195	4.33
4	E	3195	3195	4.33
5	E	1513	1513	5.28
5	E	1513	1513	5.28
6	E	1050	1050	1.62
6	E	1050	1050	1.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.126
Cl2	0.000	0.000	0.657
H3	0.000	1.030	-1.468
H4	0.892	-0.515	-1.468
H5	-0.892	-0.515	-1.468

	C1	Cl2	H3	H4	H5
C1		1.7827	1.0850	1.0850	1.0850
Cl2	1.7827		2.3613	2.3613	2.3613
H3	1.0850	2.3613		1.7834	1.7834
H4	1.0850	2.3613	1.7834		1.7834
H5	1.0850	2.3613	1.7834	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.391	Cl2	C1	H4	108.391
Cl2	C1	H5	108.391	H3	C1	H4	110.530
H3	C1	H5	110.530	H4	C1	H5	110.530

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

using model chemistry: QCISD/aug-cc-pCVTZ

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: QCISD/aug-cc-pCVTZ

States and conformations

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