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	hartrees
Energy at 0K	-499.383358
Energy at 298.15K	-499.386337
HF Energy	-499.092764
Nuclear repulsion energy	51.180009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3113	2964	23.93
2	A₁	1451	1381	15.98
3	A₁	765	728	23.85
4	E	3214	3061	8.44
4	E	3214	3061	8.44
5	E	1530	1457	5.41
5	E	1530	1457	5.41
6	E	1073	1022	3.51
6	E	1073	1022	3.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.129
Cl2	0.000	0.000	0.660
H3	0.000	1.034	-1.480
H4	0.895	-0.517	-1.480
H5	-0.895	-0.517	-1.480

	C1	Cl2	H3	H4	H5
C1		1.7886	1.0916	1.0916	1.0916
Cl2	1.7886		2.3758	2.3758	2.3758
H3	1.0916	2.3758		1.7906	1.7906
H4	1.0916	2.3758	1.7906		1.7906
H5	1.0916	2.3758	1.7906	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.732	Cl2	C1	H4	108.732
Cl2	C1	H5	108.732	H3	C1	H4	110.200
H3	C1	H5	110.200	H4	C1	H5	110.200

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

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

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