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	hartrees
Energy at 0K	-538.211047
Energy at 298.15K	-538.213777
Nuclear repulsion energy	88.093807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3159	1.88
2	A'	3209	3113	4.25
3	A'	3154	3059	0.02
4	A'	1674	1624	54.44
5	A'	1382	1341	6.98
6	A'	1283	1245	11.82
7	A'	1029	998	17.45
8	A'	706	685	43.66
9	A'	396	384	0.41
10	A"	968	939	33.34
11	A"	913	885	23.54
12	A"	630	611	9.73

Atom	x (Å)	y (Å)
C1	0.000	0.766
C2	1.299	1.051
Cl3	-0.629	-0.870
H4	-0.792	1.517
H5	2.066	0.273
H6	1.616	2.096

	C1	C2	Cl3	H4	H5	H6
C1		1.3301	1.7524	1.0918	2.1237	2.0931
C2	1.3301		2.7211	2.1429	1.0916	1.0926
Cl3	1.7524	2.7211		2.3927	2.9267	3.7196
H4	1.0918	2.1429	2.3927		3.1170	2.4769
H5	2.1237	1.0916	2.9267	3.1170		1.8776
H6	2.0931	1.0926	3.7196	2.4769	1.8776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.247	C1	C2	H6	119.207
C2	C1	Cl3	123.369	C2	C1	H4	124.169
Cl3	C1	H4	112.462	H5	C2	H6	118.546

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

using model chemistry: B3LYP/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	-0.102
2	C	0.059
3	Cl	-0.079
4	H	0.051
5	H	0.034
6	H	0.036

	x	y	z	Total
	0.576	1.329	0.000	1.449
CHELPG
AIM
ESP

	x	y	z
x	5.882	1.489	0.001
y	1.489	5.678	-0.000
z	0.001	-0.000	2.198

<r²>	69.307
(<r²>)^1/2	8.325

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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