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	hartrees
Energy at 0K	-538.145928
Energy at 298.15K	-538.148664
Nuclear repulsion energy	87.060297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3305	3152	4.54
2	A'	3288	3136	1.50
3	A'	3200	3052	0.11
4	A'	1708	1629	52.42
5	A'	1442	1376	7.04
6	A'	1319	1258	18.40
7	A'	1057	1008	20.57
8	A'	669	638	44.02
9	A'	392	374	0.59
10	A"	995	949	71.03
11	A"	980	934	29.69
12	A"	644	614	14.77

Atom	x (Å)	y (Å)
C1	0.000	0.797
C2	1.293	1.081
Cl3	-0.625	-0.895
H4	-0.806	1.515
H5	2.061	0.318
H6	1.611	2.118

	C1	C2	Cl3	H4	H5	H6
C1		1.3240	1.8036	1.0799	2.1155	2.0836
C2	1.3240		2.7542	2.1436	1.0824	1.0842
Cl3	1.8036	2.7542		2.4173	2.9469	3.7522
H4	1.0799	2.1436	2.4173		3.1067	2.4914
H5	2.1155	1.0824	2.9469	3.1067		1.8549
H6	2.0836	1.0842	3.7522	2.4914	1.8549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.749	C1	C2	H6	119.481
C2	C1	Cl3	122.687	C2	C1	H4	125.870
Cl3	C1	H4	111.443	H5	C2	H6	117.770

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

using model chemistry: B1B95/6-31G

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	-0.343
2	C	-0.266
3	Cl	0.036
4	H	0.212
5	H	0.185
6	H	0.177

	x	y	z	Total
	0.884	1.866	0.000	2.065
CHELPG
AIM
ESP

	x	y	z
x	5.363	1.572	0.000
y	1.572	5.441	0.000
z	0.000	0.000	1.567

<r²>	70.638
(<r²>)^1/2	8.405

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

using model chemistry: B1B95/6-31G

States and conformations

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