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	hartrees
Energy at 0K	-538.210485
Energy at 298.15K	-538.213191
HF Energy	-538.210485
Nuclear repulsion energy	88.604489

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3147	3.74
2	A'	3145	3104	4.30
3	A'	3097	3057	0.28
4	A'	1617	1596	63.95
5	A'	1377	1359	9.32
6	A'	1278	1262	9.12
7	A'	1019	1006	16.39
8	A'	687	678	45.82
9	A'	396	391	0.25
10	A"	950	938	31.92
11	A"	889	877	32.69
12	A"	623	615	14.09

Atom	x (Å)	y (Å)
C1	0.000	0.759
C2	1.298	1.040
Cl3	-0.628	-0.862
H4	-0.785	1.507
H5	2.061	0.270
H6	1.617	2.078

	C1	C2	Cl3	H4	H5	H6
C1		1.3280	1.7378	1.0846	2.1185	2.0874
C2	1.3280		2.7069	2.1342	1.0847	1.0859
Cl3	1.7378	2.7069		2.3741	2.9181	3.6994
H4	1.0846	2.1342	2.3741		3.1034	2.4691
H5	2.1185	1.0847	2.9181	3.1034		1.8618
H6	2.0874	1.0859	3.6994	2.4691	1.8618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.498	C1	C2	H6	119.373
C2	C1	Cl3	123.451	C2	C1	H4	124.094
Cl3	C1	H4	112.455	H5	C2	H6	118.129

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.030
2	C	-0.158
3	Cl	-0.221
4	H	0.131
5	H	0.141
6	H	0.137

	x	y	z	Total
	0.577	1.266	0.000	1.392
CHELPG
AIM
ESP

	x	y	z
x	7.164	1.498	0.000
y	1.498	6.825	0.000
z	0.000	0.000	4.553

<r²>	68.920
(<r²>)^1/2	8.302

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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