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	hartrees
Energy at 0K	-536.973147
Energy at 298.15K	-536.976031
Nuclear repulsion energy	89.062906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3412	3086	12.59
2	A'	3395	3071	3.07
3	A'	3317	3000	1.65
4	A'	1820	1646	51.46
5	A'	1528	1382	11.44
6	A'	1422	1286	15.60
7	A'	1138	1029	19.37
8	A'	762	689	54.00
9	A'	429	388	0.15
10	A"	1081	978	41.35
11	A"	1059	958	44.93
12	A"	689	624	16.02

Atom	x (Å)	y (Å)
C1	0.000	0.763
C2	1.279	1.044
Cl3	-0.619	-0.864
H4	-0.778	1.499
H5	2.037	0.283
H6	1.596	2.071

	C1	C2	Cl3	H4	H5	H6
C1		1.3099	1.7409	1.0711	2.0927	2.0639
C2	1.3099		2.6922	2.1068	1.0740	1.0749
Cl3	1.7409	2.6922		2.3687	2.8937	3.6778
H4	1.0711	2.1068	2.3687		3.0663	2.4417
H5	2.0927	1.0740	2.8937	3.0663		1.8419
H6	2.0639	1.0749	3.6778	2.4417	1.8419

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.456	C1	C2	H6	119.541
C2	C1	Cl3	123.260	C2	C1	H4	124.152
Cl3	C1	H4	112.587	H5	C2	H6	118.003

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

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	CHELPG	ESP
1	C	-0.271	-0.009	-0.091
2	C	-0.408	-0.351	-0.404
3	Cl	-0.092	-0.143	-0.117
4	H	0.276	0.150	0.195
5	H	0.254	0.196	0.225
6	H	0.241	0.157	0.191

	x	y	z	Total
	0.841	1.692	0.000	1.889
CHELPG
AIM
ESP	0.811	1.738	0.000	1.918

	x	y	z
x	5.802	1.541	0.000
y	1.541	5.385	0.000
z	0.000	0.000	2.222

<r²>	68.540
(<r²>)^1/2	8.279

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

using model chemistry: HF/6-311G*

States and conformations

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