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	hartrees
Energy at 0K	-534.540993
Energy at 298.15K	-534.543711
HF Energy	-534.313349
Nuclear repulsion energy	85.870778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3299	3149	2.41
2	A'	3283	3134	0.62
3	A'	3197	3052	0.14
4	A'	1668	1592	36.02
5	A'	1489	1421	10.91
6	A'	1330	1270	27.09
7	A'	1084	1035	11.46
8	A'	632	603	32.11
9	A'	386	369	0.84
10	A"	1006	960	74.53
11	A"	978	933	17.48
12	A"	634	605	12.52

Atom	x (Å)	y (Å)
C1	0.000	0.829
C2	1.303	1.093
Cl3	-0.630	-0.913
H4	-0.805	1.548
H5	2.053	0.312
H6	1.647	2.123

	C1	C2	Cl3	H4	H5	H6
C1		1.3295	1.8517	1.0799	2.1173	2.0945
C2	1.3295		2.7857	2.1567	1.0835	1.0853
Cl3	1.8517	2.7857		2.4670	2.9493	3.7944
H4	1.0799	2.1567	2.4670		3.1145	2.5186
H5	2.1173	1.0835	2.9493	3.1145		1.8561
H6	2.0945	1.0853	3.7944	2.5186	1.8561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.340	C1	C2	H6	119.963
C2	C1	Cl3	121.377	C2	C1	H4	126.737
Cl3	C1	H4	111.886	H5	C2	H6	117.697

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

using model chemistry: MP2/3-21G

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	ESP
1	C	-0.346	-0.076
2	C	-0.347	-0.359
3	Cl	0.009	-0.142
4	H	0.249	0.191
5	H	0.221	0.207
6	H	0.214	0.180

	x	y	z	Total
	0.929	1.948	0.000	2.158
CHELPG
AIM
ESP	0.913	2.000	0.000	2.199

	x	y	z
x	4.809	1.464	0.000
y	1.464	5.297	0.000
z	0.000	0.000	1.243

<r²>	72.518
(<r²>)^1/2	8.516

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

using model chemistry: MP2/3-21G

States and conformations

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