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	hartrees
Energy at 0K	-537.923377
Energy at 298.15K	-537.926064
Nuclear repulsion energy	88.171079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3153	2.71
2	A'	3140	3111	4.91
3	A'	3088	3060	0.15
4	A'	1620	1605	64.86
5	A'	1355	1342	7.88
6	A'	1263	1252	10.18
7	A'	1003	994	23.13
8	A'	693	687	45.94
9	A'	391	387	0.11
10	A"	940	931	43.80
11	A"	869	861	33.26
12	A"	616	610	16.11

Atom	x (Å)	y (Å)
C1	0.000	0.763
C2	1.300	1.050
Cl3	-0.629	-0.868
H4	-0.795	1.509
H5	2.071	0.279
H6	1.615	2.095

	C1	C2	Cl3	H4	H5	H6
C1		1.3313	1.7484	1.0901	2.1268	2.0935
C2	1.3313		2.7205	2.1443	1.0907	1.0915
Cl3	1.7484	2.7205		2.3836	2.9334	3.7172
H4	1.0901	2.1443	2.3836		3.1186	2.4796
H5	2.1268	1.0907	2.9334	3.1186		1.8730
H6	2.0935	1.0915	3.7172	2.4796	1.8730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.528	C1	C2	H6	119.224
C2	C1	Cl3	123.536	C2	C1	H4	124.333
Cl3	C1	H4	112.131	H5	C2	H6	118.249

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

using model chemistry: PBEPBE/6-311G**

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	-0.235
2	C	-0.174
3	Cl	-0.044
4	H	0.177
5	H	0.141
6	H	0.136

	x	y	z	Total
	0.653	1.382	0.000	1.529
CHELPG
AIM
ESP

	x	y	z
x	6.036	1.665	0.000
y	1.665	6.015	0.000
z	0.000	0.000	2.384

<r²>	69.520
(<r²>)^1/2	8.338

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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