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	hartrees
Energy at 0K	-499.455668
Energy at 298.15K	-499.458624
HF Energy	-499.121801
Nuclear repulsion energy	50.760026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3082	2986	25.29
2	A₁	1370	1327	15.28
3	A₁	733	710	26.49
4	E	3191	3091	5.86
4	E	3191	3091	5.86
5	E	1471	1425	4.27
5	E	1471	1425	4.27
6	E	1028	996	1.59
6	E	1028	996	1.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.141
Cl2	0.000	0.000	0.664
H3	0.000	1.043	-1.483
H4	0.904	-0.522	-1.483
H5	-0.904	-0.522	-1.483

	C1	Cl2	H3	H4	H5
C1		1.8051	1.0980	1.0980	1.0980
Cl2	1.8051		2.3873	2.3873	2.3873
H3	1.0980	2.3873		1.8071	1.8071
H4	1.0980	2.3873	1.8071		1.8071
H5	1.0980	2.3873	1.8071	1.8071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.155	Cl2	C1	H4	108.155
Cl2	C1	H5	108.155	H3	C1	H4	110.755
H3	C1	H5	110.755	H4	C1	H5	110.755

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

using model chemistry: QCISD/aug-cc-pVDZ

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-pVDZ

States and conformations

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