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	hartrees
Energy at 0K	-499.556068
Energy at 298.15K	-499.559044
HF Energy	-499.148993
Nuclear repulsion energy	51.390594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3096	3096	23.31
2	A₁	1403	1403	13.38
3	A₁	757	757	23.91
4	E	3196	3196	6.13
4	E	3196	3196	6.13
5	E	1507	1507	4.90
5	E	1507	1507	4.90
6	E	1044	1044	2.04
6	E	1044	1044	2.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.125
Cl2	0.000	0.000	0.657
H3	0.000	1.028	-1.471
H4	0.890	-0.514	-1.471
H5	-0.890	-0.514	-1.471

	C1	Cl2	H3	H4	H5
C1		1.7817	1.0845	1.0845	1.0845
Cl2	1.7817		2.3628	2.3628	2.3628
H3	1.0845	2.3628		1.7804	1.7804
H4	1.0845	2.3628	1.7804		1.7804
H5	1.0845	2.3628	1.7804	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.593	Cl2	C1	H4	108.593
Cl2	C1	H5	108.593	H3	C1	H4	110.335
H3	C1	H5	110.335	H4	C1	H5	110.335

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

using model chemistry: QCISD/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/cc-pCVTZ

States and conformations

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