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	hartrees
Energy at 0K	-538.216877
Energy at 298.15K	-538.219579
HF Energy	-538.216877
Nuclear repulsion energy	88.448529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3150	4.59
2	A'	3152	3108	5.21
3	A'	3102	3059	0.41
4	A'	1622	1599	60.70
5	A'	1377	1358	9.24
6	A'	1279	1261	10.03
7	A'	1019	1005	16.55
8	A'	682	672	46.23
9	A'	393	387	0.37
10	A"	949	936	32.45
11	A"	885	873	30.73
12	A"	621	612	11.89

Atom	x (Å)	y (Å)
C1	0.000	0.762
C2	1.296	1.046
Cl3	-0.627	-0.866
H4	-0.787	1.507
H5	2.061	0.277
H6	1.613	2.085

	C1	C2	Cl3	H4	H5	H6
C1		1.3273	1.7441	1.0843	2.1170	2.0865
C2	1.3273		2.7124	2.1338	1.0847	1.0859
Cl3	1.7441	2.7124		2.3785	2.9208	3.7050
H4	1.0843	2.1338	2.3785		3.1023	2.4687
H5	2.1170	1.0847	2.9208	3.1023		1.8628
H6	2.0865	1.0859	3.7050	2.4687	1.8628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.412	C1	C2	H6	119.348
C2	C1	Cl3	123.473	C2	C1	H4	124.155
Cl3	C1	H4	112.372	H5	C2	H6	118.241

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

using model chemistry: B97D3/cc-pVTZ

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	-0.052
2	C	-0.222
3	Cl	-0.092
4	H	0.128
5	H	0.120
6	H	0.117

	x	y	z	Total
	0.562	1.292	0.000	1.409
CHELPG
AIM
ESP

	x	y	z
x	6.506	1.545	0.000
y	1.545	6.304	0.000
z	0.000	0.000	3.243

<r²>	68.975
(<r²>)^1/2	8.305

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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