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	hartrees
Energy at 0K	-536.996529
Energy at 298.15K	-536.999420
HF Energy	-536.996529
Nuclear repulsion energy	89.395754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3394	3076	5.60
2	A'	3372	3056	3.62
3	A'	3301	2992	0.41
4	A'	1808	1639	55.87
5	A'	1522	1380	10.95
6	A'	1412	1280	13.43
7	A'	1131	1025	15.28
8	A'	765	693	49.18
9	A'	428	388	0.36
10	A"	1084	982	11.69
11	A"	1069	969	63.42
12	A"	694	629	13.98

Atom	x (Å)	y (Å)
C1	0.000	0.758
C2	1.277	1.037
Cl3	-0.619	-0.859
H4	-0.771	1.499
H5	2.030	0.274
H6	1.594	2.062

	C1	C2	Cl3	H4	H5	H6
C1		1.3070	1.7316	1.0696	2.0869	2.0589
C2	1.3070		2.6808	2.0998	1.0719	1.0729
Cl3	1.7316	2.6808		2.3634	2.8803	3.6640
H4	1.0696	2.0998	2.3634		3.0575	2.4310
H5	2.0869	1.0719	2.8803	3.0575		1.8404
H6	2.0589	1.0729	3.6640	2.4310	1.8404

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.318	C1	C2	H6	119.475
C2	C1	Cl3	123.222	C2	C1	H4	123.843
Cl3	C1	H4	112.935	H5	C2	H6	118.207

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

using model chemistry: HF/Def2TZVPP

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	0.005
2	C	-0.162
3	Cl	-0.103
4	H	0.097
5	H	0.083
6	H	0.079

	x	y	z	Total
	0.699	1.500	0.000	1.655
CHELPG
AIM
ESP

	x	y	z
x	6.401	1.421	0.000
y	1.421	5.775	0.000
z	0.000	0.000	3.532

<r²>	67.991
(<r²>)^1/2	8.246

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

using model chemistry: HF/Def2TZVPP

States and conformations

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