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	hartrees
Energy at 0K	-499.427143
Energy at 298.15K	-499.430119
HF Energy	-499.122475
Nuclear repulsion energy	50.986388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3137	3137	25.33
2	A₁	1398	1398	15.45
3	A₁	753	753	29.70
4	E	3246	3246	5.49
4	E	3246	3246	5.49
5	E	1500	1500	4.71
5	E	1500	1500	4.71
6	E	1051	1051	1.46
6	E	1051	1051	1.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.136
Cl2	0.000	0.000	0.661
H3	0.000	1.038	-1.477
H4	0.899	-0.519	-1.477
H5	-0.899	-0.519	-1.477

	C1	Cl2	H3	H4	H5
C1		1.7973	1.0926	1.0926	1.0926
Cl2	1.7973		2.3771	2.3771	2.3771
H3	1.0926	2.3771		1.7979	1.7979
H4	1.0926	2.3771	1.7979		1.7979
H5	1.0926	2.3771	1.7979	1.7979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.194	Cl2	C1	H4	108.194
Cl2	C1	H5	108.194	H3	C1	H4	110.718
H3	C1	H5	110.718	H4	C1	H5	110.718

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

using model chemistry: CISD/daug-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: CISD/daug-cc-pVDZ

States and conformations

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