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	hartrees
Energy at 0K	-535.313887
Energy at 298.15K	-535.316622
HF Energy	-535.313887
Nuclear repulsion energy	86.920349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3296	3175	1.75
2	A'	3281	3160	0.70
3	A'	3193	3076	0.65
4	A'	1706	1644	49.17
5	A'	1459	1406	7.15
6	A'	1310	1262	23.19
7	A'	1067	1028	17.84
8	A'	649	625	44.32
9	A'	394	380	0.72
10	A"	991	955	55.68
11	A"	986	950	54.56
12	A"	642	619	16.93

Atom	x (Å)	y (Å)
C1	0.000	0.814
C2	1.293	1.069
Cl3	-0.625	-0.895
H4	-0.803	1.537
H5	2.037	0.281
H6	1.640	2.097

	C1	C2	Cl3	H4	H5	H6
C1		1.3178	1.8202	1.0800	2.1054	2.0823
C2	1.3178		2.7455	2.1473	1.0834	1.0854
Cl3	1.8202	2.7455		2.4383	2.9105	3.7533
H4	1.0800	2.1473	2.4383		3.1048	2.5064
H5	2.1054	1.0834	2.9105	3.1048		1.8590
H6	2.0823	1.0854	3.7533	2.5064	1.8590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.219	C1	C2	H6	119.790
C2	C1	Cl3	121.235	C2	C1	H4	126.878
Cl3	C1	H4	111.886	H5	C2	H6	117.992

All results from a given calculation for C₂H₃Cl (Ethene, chloro-)

using model chemistry: HSEh1PBE/3-21G

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	-0.435
2	C	-0.390
3	Cl	0.050
4	H	0.280
5	H	0.251
6	H	0.243

	x	y	z	Total
	0.955	1.920	0.000	2.144
CHELPG
AIM
ESP

	x	y	z
x	5.120	1.548	0.000
y	1.548	5.261	0.000
z	0.000	0.000	1.317

<r²>	70.737
(<r²>)^1/2	8.411

All results from a given calculation for C2H3Cl (Ethene, chloro-)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₂H₃Cl (Ethene, chloro-)