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	hartrees
Energy at 0K	-499.457398
Energy at 298.15K	-499.460380
HF Energy	-499.133357
Nuclear repulsion energy	51.160030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3123	2960	24.93
2	A₁	1446	1371	22.34
3	A₁	763	724	23.96
4	E	3228	3060	9.56
4	E	3228	3060	9.56
5	E	1504	1426	4.09
5	E	1504	1426	4.09
6	E	1060	1005	2.02
6	E	1060	1005	2.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.132
Cl2	0.000	0.000	0.660
H3	0.000	1.028	-1.479
H4	0.890	-0.514	-1.479
H5	-0.890	-0.514	-1.479

	C1	Cl2	H3	H4	H5
C1		1.7921	1.0850	1.0850	1.0850
Cl2	1.7921		2.3736	2.3736	2.3736
H3	1.0850	2.3736		1.7804	1.7804
H4	1.0850	2.3736	1.7804		1.7804
H5	1.0850	2.3736	1.7804	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.672	Cl2	C1	H4	108.672
Cl2	C1	H5	108.672	H3	C1	H4	110.258
H3	C1	H5	110.258	H4	C1	H5	110.258

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

using model chemistry: CCD/TZVP

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/TZVP

States and conformations

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