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	hartrees
Energy at 0K	-500.010752
Energy at 298.15K
HF Energy	-499.853760
Nuclear repulsion energy	51.347654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3099	3099	23.68
2	A₁	1396	1396	12.68
3	A₁	738	738	25.33
4	E	3193	3193	5.28
4	E	3193	3193	5.28
5	E	1502	1502	5.71
5	E	1502	1502	5.71
6	E	1039	1039	2.65
6	E	1039	1039	2.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.128
Cl2	0.000	0.000	0.658
H3	0.000	1.027	-1.471
H4	0.889	-0.513	-1.471
H5	-0.889	-0.513	-1.471

	C1	Cl2	H3	H4	H5
C1		1.7853	1.0825	1.0825	1.0825
Cl2	1.7853		2.3629	2.3629	2.3629
H3	1.0825	2.3629		1.7784	1.7784
H4	1.0825	2.3629	1.7784		1.7784
H5	1.0825	2.3629	1.7784	1.7784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.469	Cl2	C1	H4	108.469
Cl2	C1	H5	108.469	H3	C1	H4	110.454
H3	C1	H5	110.454	H4	C1	H5	110.454

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/cc-pV(T+d)Z

States and conformations

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