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	hartrees
Energy at 0K	-499.149135
Energy at 298.15K	-499.152145
HF Energy	-499.149135
Nuclear repulsion energy	51.492173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3215	2936	32.37
2	A₁	1503	1372	21.34
3	A₁	772	705	43.24
4	E	3312	3024	9.28
4	E	3312	3024	9.28
5	E	1603	1464	5.46
5	E	1603	1464	5.46
6	E	1116	1019	1.80
6	E	1116	1019	1.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.126
Cl2	0.000	0.000	0.656
H3	0.000	1.022	-1.465
H4	0.885	-0.511	-1.465
H5	-0.885	-0.511	-1.465

	C1	Cl2	H3	H4	H5
C1		1.7825	1.0763	1.0763	1.0763
Cl2	1.7825		2.3541	2.3541	2.3541
H3	1.0763	2.3541		1.7697	1.7697
H4	1.0763	2.3541	1.7697		1.7697
H5	1.0763	2.3541	1.7697	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.319	Cl2	C1	H4	108.319
Cl2	C1	H5	108.319	H3	C1	H4	110.599
H3	C1	H5	110.599	H4	C1	H5	110.599

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

using model chemistry: HF/cc-pCVTZ

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	-0.091
2	Cl	-0.196
3	H	0.096
4	H	0.096
5	H	0.096

	x	y	z	Total
	0.000	0.000	-2.132	2.132
CHELPG
AIM
ESP

<r²>	36.559
(<r²>)^1/2	6.046

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

using model chemistry: HF/cc-pCVTZ

States and conformations

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