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	hartrees
Energy at 0K	-537.010973
Energy at 298.15K	-537.013866
Nuclear repulsion energy	89.379250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3391	3081	5.36
2	A'	3370	3062	3.28
3	A'	3299	2996	0.39
4	A'	1807	1641	55.16
5	A'	1522	1383	10.88
6	A'	1411	1282	13.67
7	A'	1131	1027	14.77
8	A'	764	694	48.80
9	A'	428	389	0.36
10	A"	1083	984	11.57
11	A"	1070	972	62.52
12	A"	693	630	13.74

Atom	x (Å)	y (Å)
C1	0.000	0.759
C2	1.277	1.037
Cl3	-0.618	-0.860
H4	-0.772	1.499
H5	2.030	0.274
H6	1.593	2.062

	C1	C2	Cl3	H4	H5	H6
C1		1.3070	1.7330	1.0692	2.0866	2.0582
C2	1.3070		2.6818	2.1003	1.0716	1.0725
Cl3	1.7330	2.6818		2.3639	2.8807	3.6645
H4	1.0692	2.1003	2.3639		3.0574	2.4310
H5	2.0866	1.0716	2.8807	3.0574		1.8403
H6	2.0582	1.0725	3.6645	2.4310	1.8403

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.316	C1	C2	H6	119.428
C2	C1	Cl3	123.196	C2	C1	H4	123.915
Cl3	C1	H4	112.889	H5	C2	H6	118.257

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

using model chemistry: HF/cc-pVQZ

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	-0.153
2	C	-0.221
3	Cl	-0.088
4	H	0.190
5	H	0.135
6	H	0.137

	x	y	z	Total
	0.727	1.526	0.000	1.690
CHELPG
AIM
ESP

	x	y	z
x	6.609	1.409	0.000
y	1.409	6.029	0.000
z	0.000	0.000	3.762

<r²>	68.019
(<r²>)^1/2	8.247

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

using model chemistry: HF/cc-pVQZ

States and conformations

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