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	hartrees
Energy at 0K	-499.560529
Energy at 298.15K	-499.563499
HF Energy	-499.148958
Nuclear repulsion energy	51.289855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	3094	23.17
2	A₁	1405	1405	12.67
3	A₁	752	752	24.71
4	E	3194	3194	4.22
4	E	3194	3194	4.22
5	E	1511	1511	5.24
5	E	1511	1511	5.24
6	E	1048	1048	1.58
6	E	1048	1048	1.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.129
Cl2	0.000	0.000	0.658
H3	0.000	1.030	-1.470
H4	0.892	-0.515	-1.470
H5	-0.892	-0.515	-1.470

	C1	Cl2	H3	H4	H5
C1		1.7869	1.0852	1.0852	1.0852
Cl2	1.7869		2.3642	2.3642	2.3642
H3	1.0852	2.3642		1.7843	1.7843
H4	1.0852	2.3642	1.7843		1.7843
H5	1.0852	2.3642	1.7843	1.7843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.318	Cl2	C1	H4	108.318
Cl2	C1	H5	108.318	H3	C1	H4	110.600
H3	C1	H5	110.600	H4	C1	H5	110.600

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

using model chemistry: QCISD/daug-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: QCISD/daug-cc-pVTZ

States and conformations

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