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	hartrees
Energy at 0K	-499.553987
Energy at 298.15K	-499.556969
HF Energy	-499.149006
Nuclear repulsion energy	51.448367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3105	3105	22.40
2	A₁	1408	1408	12.70
3	A₁	767	767	23.20
4	E	3206	3206	5.56
4	E	3206	3206	5.56
5	E	1510	1510	5.08
5	E	1510	1510	5.08
6	E	1047	1047	2.13
6	E	1047	1047	2.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.123
Cl2	0.000	0.000	0.656
H3	0.000	1.027	-1.470
H4	0.890	-0.514	-1.470
H5	-0.890	-0.514	-1.470

	C1	Cl2	H3	H4	H5
C1		1.7792	1.0840	1.0840	1.0840
Cl2	1.7792		2.3609	2.3609	2.3609
H3	1.0840	2.3609		1.7790	1.7790
H4	1.0840	2.3609	1.7790		1.7790
H5	1.0840	2.3609	1.7790	1.7790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.648	Cl2	C1	H4	108.648
Cl2	C1	H5	108.648	H3	C1	H4	110.281
H3	C1	H5	110.281	H4	C1	H5	110.281

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

using model chemistry: CCD/cc-pCVTZ

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: CCD/cc-pCVTZ

States and conformations

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