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	hartrees
Energy at 0K	-499.881079
Energy at 298.15K	-499.884017
HF Energy	-499.881079
Nuclear repulsion energy	49.892499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3132	2996	14.69	117.25	0.01	0.02
2	A₁	1417	1356	8.91	2.49	0.58	0.74
3	A₁	684	654	27.83	20.78	0.34	0.51
4	E	3261	3119	4.49	57.55	0.75	0.86
4	E	3261	3119	4.49	57.55	0.75	0.86
5	E	1521	1455	12.56	19.14	0.75	0.86
5	E	1521	1455	12.56	19.14	0.75	0.86
6	E	1044	998	6.62	11.67	0.75	0.86
6	E	1044	998	6.62	11.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.176
Cl2	0.000	0.000	0.680
H3	0.000	1.037	-1.504
H4	0.898	-0.518	-1.504
H5	-0.898	-0.518	-1.504

	C1	Cl2	H3	H4	H5
C1		1.8560	1.0871	1.0871	1.0871
Cl2	1.8560		2.4173	2.4173	2.4173
H3	1.0871	2.4173		1.7953	1.7953
H4	1.0871	2.4173	1.7953		1.7953
H5	1.0871	2.4173	1.7953	1.7953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	107.550	Cl2	C1	H4	107.550
Cl2	C1	H5	107.550	H3	C1	H4	111.323
H3	C1	H5	111.323	H4	C1	H5	111.323

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

using model chemistry: HSEh1PBE/6-31G

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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Number	Element	Mulliken
1	C	-0.631
2	Cl	-0.049
3	H	0.227
4	H	0.227
5	H	0.227

	x	y	z	Total
	0.000	0.000	-2.460	2.460
CHELPG
AIM
ESP

<r²>	38.199
(<r²>)^1/2	6.181

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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