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	hartrees
Energy at 0K	-499.117853
Energy at 298.15K	-499.120852
HF Energy	-499.117853
Nuclear repulsion energy	51.209518

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	3234	2937	31.42	134.82	0.01	0.02
2	A₁	1480	1344	25.03	0.23	0.24	0.39
3	A₁	766	696	47.26	21.98	0.32	0.49
4	E	3352	3043	7.52	68.13	0.75	0.86
4	E	3352	3043	7.52	68.13	0.75	0.86
5	E	1580	1434	5.72	11.30	0.75	0.86
5	E	1580	1434	5.72	11.30	0.75	0.86
6	E	1102	1000	2.40	4.48	0.75	0.86
6	E	1102	1000	2.40	4.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.132
Cl2	0.000	0.000	0.659
H3	0.000	1.031	-1.471
H4	0.893	-0.515	-1.471
H5	-0.893	-0.515	-1.471

	C1	Cl2	H3	H4	H5
C1		1.7909	1.0853	1.0853	1.0853
Cl2	1.7909		2.3663	2.3663	2.3663
H3	1.0853	2.3663		1.7857	1.7857
H4	1.0853	2.3663	1.7857		1.7857
H5	1.0853	2.3663	1.7857	1.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.198	Cl2	C1	H4	108.198
Cl2	C1	H5	108.198	H3	C1	H4	110.714
H3	C1	H5	110.714	H4	C1	H5	110.714

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

using model chemistry: HF/cc-pVDZ

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	-0.055
2	Cl	-0.199
3	H	0.085
4	H	0.085
5	H	0.085

	x	y	z	Total
	0.000	0.000	-2.208	2.208
CHELPG
AIM
ESP

<r²>	36.776
(<r²>)^1/2	6.064

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

using model chemistry: HF/cc-pVDZ

States and conformations

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