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	hartrees
Energy at 0K	-536.882212
Energy at 298.15K	-536.885082
Nuclear repulsion energy	87.398440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3460	3124	7.57
2	A'	3439	3105	0.66
3	A'	3346	3022	0.46
4	A'	1837	1659	43.63
5	A'	1559	1408	9.11
6	A'	1421	1283	33.77
7	A'	1155	1043	16.07
8	A'	694	627	56.01
9	A'	423	382	0.74
10	A"	1144	1033	44.84
11	A"	1101	994	68.26
12	A"	701	633	16.10

Atom	x (Å)	y (Å)
C1	0.000	0.800
C2	1.281	1.084
Cl3	-0.619	-0.897
H4	-0.798	1.509
H5	2.041	0.328
H6	1.599	2.108

	C1	C2	Cl3	H4	H5	H6
C1		1.3119	1.8064	1.0671	2.0945	2.0659
C2	1.3119		2.7447	2.1216	1.0713	1.0730
Cl3	1.8064	2.7447		2.4124	2.9286	3.7352
H4	1.0671	2.1216	2.4124		3.0741	2.4704
H5	2.0945	1.0713	2.9286	3.0741		1.8341
H6	2.0659	1.0730	3.7352	2.4704	1.8341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.687	C1	C2	H6	119.718
C2	C1	Cl3	122.531	C2	C1	H4	125.892
Cl3	C1	H4	111.577	H5	C2	H6	117.595

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

using model chemistry: HF/6-31G

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	CHELPG
1	C	-0.350	0.026
2	C	-0.291	-0.338
3	Cl	0.004	-0.201
4	H	0.236	0.154
5	H	0.206	0.203
6	H	0.195	0.156

	x	y	z	Total
	1.096	2.203	0.000	2.460
CHELPG	1.112	2.221	0.000	2.484
AIM
ESP

	x	y	z
x	5.495	1.622	0.000
y	1.622	5.320	0.000
z	0.000	0.000	1.500

<r²>	70.581
(<r²>)^1/2	8.401

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

using model chemistry: HF/6-31G

States and conformations

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