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	hartrees
Energy at 0K	-499.656458
Energy at 298.15K	-499.659505
HF Energy	-499.149838
Nuclear repulsion energy	51.713339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3130	3130	22.19
2	A₁	1405	1405	10.71
3	A₁	776	776	22.60
4	E	3219	3219	2.19
4	E	3219	3219	2.19
5	E	1520	1520	5.92
5	E	1520	1520	5.92
6	E	1051	1051	2.17
6	E	1051	1051	2.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.117
Cl2	0.000	0.000	0.652
H3	0.000	1.025	-1.460
H4	0.888	-0.513	-1.460
H5	-0.888	-0.513	-1.460

	C1	Cl2	H3	H4	H5
C1		1.7687	1.0814	1.0814	1.0814
Cl2	1.7687		2.3480	2.3480	2.3480
H3	1.0814	2.3480		1.7759	1.7759
H4	1.0814	2.3480	1.7759		1.7759
H5	1.0814	2.3480	1.7759	1.7759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.526	Cl2	C1	H4	108.526
Cl2	C1	H5	108.526	H3	C1	H4	110.400
H3	C1	H5	110.400	H4	C1	H5	110.400

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

using model chemistry: MP2=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: MP2=FULL/aug-cc-pV(T+d)Z

States and conformations

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