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	hartrees
Energy at 0K	-499.432653
Energy at 298.15K	-499.435632
HF Energy	-499.125590
Nuclear repulsion energy	51.176993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3083	2952	28.28
2	A₁	1443	1381	14.98
3	A₁	758	726	24.87
4	E	3183	3048	9.86
4	E	3183	3048	9.86
5	E	1509	1445	5.68
5	E	1509	1445	5.68
6	E	1067	1022	6.16
6	E	1067	1022	6.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.129
Cl2	0.000	0.000	0.659
H3	0.000	1.032	-1.479
H4	0.894	-0.516	-1.479
H5	-0.894	-0.516	-1.479

	C1	Cl2	H3	H4	H5
C1		1.7882	1.0900	1.0900	1.0900
Cl2	1.7882		2.3744	2.3744	2.3744
H3	1.0900	2.3744		1.7879	1.7879
H4	1.0900	2.3744	1.7879		1.7879
H5	1.0900	2.3744	1.7879	1.7879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.734	Cl2	C1	H4	108.734
Cl2	C1	H5	108.734	H3	C1	H4	110.198
H3	C1	H5	110.198	H4	C1	H5	110.198

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

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

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