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	hartrees
Energy at 0K	-538.183708
Energy at 298.15K	-538.186467
HF Energy	-538.183708
Nuclear repulsion energy	89.075253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3111	0.82
2	A'	3208	3064	3.94
3	A'	3160	3018	0.81
4	A'	1698	1622	55.13
5	A'	1409	1346	8.31
6	A'	1305	1247	12.39
7	A'	1042	995	16.40
8	A'	723	690	41.80
9	A'	396	378	0.28
10	A"	983	939	16.05
11	A"	947	904	54.75
12	A"	633	604	11.53

Atom	x (Å)	y (Å)
C1	0.000	0.760
C2	1.288	1.033
Cl3	-0.624	-0.858
H4	-0.779	1.508
H5	2.040	0.257
H6	1.614	2.064

	C1	C2	Cl3	H4	H5	H6
C1		1.3170	1.7343	1.0795	2.1015	2.0751
C2	1.3170		2.6894	2.1210	1.0806	1.0813
Cl3	1.7343	2.6894		2.3708	2.8881	3.6807
H4	1.0795	2.1210	2.3708		3.0841	2.4568
H5	2.1015	1.0806	2.8881	3.0841		1.8567
H6	2.0751	1.0813	3.6807	2.4568	1.8567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.138	C1	C2	H6	119.492
C2	C1	Cl3	123.038	C2	C1	H4	124.216
Cl3	C1	H4	112.746	H5	C2	H6	118.369

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

using model chemistry: M06-2X/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	-0.068
2	C	-0.273
3	Cl	-0.090
4	H	0.156
5	H	0.146
6	H	0.129

	x	y	z	Total
	0.618	1.377	0.000	1.510
CHELPG
AIM
ESP

	x	y	z
x	6.388	1.432	0.000
y	1.432	6.070	0.000
z	0.000	0.000	3.223

<r²>	68.202
(<r²>)^1/2	8.258

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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