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	hartrees
Energy at 0K	-499.130778
Energy at 298.15K	-499.133786
HF Energy	-499.130778
Nuclear repulsion energy	51.341752

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	3225	2930	34.92	126.17	0.01	0.02
2	A₁	1511	1373	29.85	0.45	0.66	0.80
3	A₁	771	700	49.95	23.56	0.34	0.50
4	E	3328	3023	11.15	62.66	0.75	0.86
4	E	3328	3023	11.15	62.66	0.75	0.86
5	E	1599	1453	4.91	11.28	0.75	0.86
5	E	1599	1453	4.91	11.28	0.75	0.86
6	E	1121	1019	4.27	4.40	0.75	0.86
6	E	1121	1019	4.27	4.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.131
Cl2	0.000	0.000	0.658
H3	0.000	1.024	-1.467
H4	0.887	-0.512	-1.467
H5	-0.887	-0.512	-1.467

	C1	Cl2	H3	H4	H5
C1		1.7889	1.0781	1.0781	1.0781
Cl2	1.7889		2.3593	2.3593	2.3593
H3	1.0781	2.3593		1.7739	1.7739
H4	1.0781	2.3593	1.7739		1.7739
H5	1.0781	2.3593	1.7739	1.7739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.189	Cl2	C1	H4	108.189
Cl2	C1	H5	108.189	H3	C1	H4	110.723
H3	C1	H5	110.723	H4	C1	H5	110.723

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

using model chemistry: HF/6-311G**

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	-0.254
2	Cl	-0.169
3	H	0.141
4	H	0.141
5	H	0.141

	x	y	z	Total
	0.000	0.000	-2.316	2.316
CHELPG
AIM
ESP

<r²>	36.905
(<r²>)^1/2	6.075

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

using model chemistry: HF/6-311G**

States and conformations

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