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	hartrees
Energy at 0K	-499.912518
Energy at 298.15K	-499.915484
HF Energy	-499.912518
Nuclear repulsion energy	51.299268

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	3101	2960	22.05	116.24	0.01	0.01
2	A₁	1403	1339	13.45	5.26	0.48	0.65
3	A₁	756	721	27.40	13.29	0.32	0.48
4	E	3213	3066	5.18	60.33	0.75	0.86
4	E	3213	3066	5.18	60.33	0.75	0.86
5	E	1492	1424	7.20	16.79	0.75	0.86
5	E	1492	1424	7.20	16.79	0.75	0.86
6	E	1044	996	4.80	7.22	0.75	0.86
6	E	1044	996	4.80	7.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.125
Cl2	0.000	0.000	0.658
H3	0.000	1.032	-1.476
H4	0.893	-0.516	-1.476
H5	-0.893	-0.516	-1.476

	C1	Cl2	H3	H4	H5
C1		1.7827	1.0895	1.0895	1.0895
Cl2	1.7827		2.3695	2.3695	2.3695
H3	1.0895	2.3695		1.7867	1.7867
H4	1.0895	2.3695	1.7867		1.7867
H5	1.0895	2.3695	1.7867	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.769	Cl2	C1	H4	108.769
Cl2	C1	H5	108.769	H3	C1	H4	110.164
H3	C1	H5	110.164	H4	C1	H5	110.164

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	-0.482
2	Cl	-0.077
3	H	0.186
4	H	0.186
5	H	0.186

	x	y	z	Total
	0.000	0.000	-2.059	2.059
CHELPG
AIM
ESP

<r²>	36.614
(<r²>)^1/2	6.051

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)