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	hartrees
Energy at 0K	-500.137358
Energy at 298.15K	-500.140282
HF Energy	-500.137358
Nuclear repulsion energy	50.751267

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	3021	2978	29.97	133.52	0.00	0.01
2	A₁	1360	1341	17.83	3.33	0.48	0.65
3	A₁	680	670	30.94	13.49	0.33	0.49
4	E	3124	3079	11.41	61.62	0.75	0.86
4	E	3124	3079	11.41	61.63	0.75	0.86
5	E	1452	1431	5.44	11.96	0.75	0.86
5	E	1452	1431	5.44	11.96	0.75	0.86
6	E	1014	1000	6.19	5.48	0.75	0.86
6	E	1014	1000	6.19	5.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.144
Cl2	0.000	0.000	0.666
H3	0.000	1.037	-1.484
H4	0.898	-0.518	-1.484
H5	-0.898	-0.518	-1.484

	C1	Cl2	H3	H4	H5
C1		1.8094	1.0913	1.0913	1.0913
Cl2	1.8094		2.3869	2.3869	2.3869
H3	1.0913	2.3869		1.7957	1.7957
H4	1.0913	2.3869	1.7957		1.7957
H5	1.0913	2.3869	1.7957	1.7957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.186	Cl2	C1	H4	108.186
Cl2	C1	H5	108.186	H3	C1	H4	110.726
H3	C1	H5	110.726	H4	C1	H5	110.726

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

using model chemistry: B97D3/6-311G**

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	-0.360
2	Cl	-0.135
3	H	0.165
4	H	0.165
5	H	0.165

	x	y	z	Total
	0.000	0.000	-2.097	2.097
CHELPG
AIM
ESP

<r²>	37.395
(<r²>)^1/2	6.115

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

using model chemistry: B97D3/6-311G**

States and conformations

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