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	hartrees
Energy at 0K	-27.383384
Energy at 298.15K	-27.386256
Nuclear repulsion energy	33.812803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3422	3091	11.63
2	A'	3400	3071	5.39
3	A'	3320	3000	1.66
4	A'	1793	1619	56.10
5	A'	1516	1370	14.22
6	A'	1407	1271	16.11
7	A'	1126	1017	20.57
8	A'	773	699	51.92
9	A'	422	381	0.35
10	A"	1071	967	60.02
11	A"	1050	949	33.89
12	A"	684	618	15.07

Atom	x (Å)	y (Å)
C1	0.000	0.528
C2	1.297	0.285
Cl3	-1.206	-0.737
H4	-0.428	1.513
H5	1.697	-0.714
H6	1.988	1.111

	C1	C2	Cl3	H4	H5	H6
C1		1.3194	1.7481	1.0741	2.1033	2.0720
C2	1.3194		2.7038	2.1177	1.0763	1.0772
Cl3	1.7481	2.7038		2.3808	2.9038	3.6906
H4	1.0741	2.1177	2.3808		3.0788	2.4500
H5	2.1033	1.0763	2.9038	3.0788		1.8479
H6	2.0720	1.0772	3.6906	2.4500	1.8479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.467	C1	C2	H6	119.322
C2	C1	Cl3	123.019	C2	C1	H4	124.128
Cl3	C1	H4	112.852	H5	C2	H6	118.212

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

using model chemistry: HF/CEP-121G*

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	-0.087
2	C	-0.396
3	Cl	-0.155
4	H	0.233
5	H	0.213
6	H	0.193

	x	y	z	Total
	1.369	1.220	0.000	1.834
CHELPG
AIM
ESP

	x	y	z
x	7.081	0.781	0.000
y	0.781	4.514	0.000
z	0.000	0.000	2.699

<r²>	48.423
(<r²>)^1/2	6.959

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

using model chemistry: HF/CEP-121G*

States and conformations

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