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	hartrees
Energy at 0K	-499.684218
Energy at 298.15K	-499.687265
HF Energy	-499.149896
Nuclear repulsion energy	51.614083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3140	3140	21.29
2	A₁	1415	1415	10.71
3	A₁	771	771	22.89
4	E	3219	3219	3.12
4	E	3219	3219	3.12
5	E	1526	1526	5.91
5	E	1526	1526	5.91
6	E	1054	1054	1.90
6	E	1054	1054	1.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.120
Cl2	0.000	0.000	0.654
H3	0.000	1.025	-1.463
H4	0.888	-0.512	-1.463
H5	-0.888	-0.512	-1.463

	C1	Cl2	H3	H4	H5
C1		1.7739	1.0806	1.0806	1.0806
Cl2	1.7739		2.3514	2.3514	2.3514
H3	1.0806	2.3514		1.7752	1.7752
H4	1.0806	2.3514	1.7752		1.7752
H5	1.0806	2.3514	1.7752	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.473	Cl2	C1	H4	108.473
Cl2	C1	H5	108.473	H3	C1	H4	110.451
H3	C1	H5	110.451	H4	C1	H5	110.451

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

using model chemistry: MP3=FULL/aug-cc-pV(T+d)Z

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: MP3=FULL/aug-cc-pV(T+d)Z

States and conformations

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