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	hartrees
Energy at 0K	-538.190157
Energy at 298.15K	-538.192894
Nuclear repulsion energy	88.271282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3268	3140	3.34
2	A'	3229	3102	5.23
3	A'	3172	3048	0.02
4	A'	1687	1621	51.31
5	A'	1414	1359	8.28
6	A'	1312	1261	12.99
7	A'	1044	1003	18.36
8	A'	708	680	43.92
9	A'	399	384	0.36
10	A"	979	940	37.09
11	A"	919	883	27.08
12	A"	635	611	9.79

Atom	x (Å)	y (Å)
C1	0.000	0.765
C2	1.296	1.051
Cl3	-0.627	-0.870
H4	-0.788	1.510
H5	2.062	0.284
H6	1.611	2.090

	C1	C2	Cl3	H4	H5	H6
C1		1.3269	1.7513	1.0839	2.1172	2.0853
C2	1.3269		2.7180	2.1335	1.0843	1.0853
Cl3	1.7513	2.7180		2.3848	2.9259	3.7104
H4	1.0839	2.1335	2.3848		3.1021	2.4679
H5	2.1172	1.0843	2.9259	3.1021		1.8613
H6	2.0853	1.0853	3.7104	2.4679	1.8613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.510	C1	C2	H6	119.318
C2	C1	Cl3	123.422	C2	C1	H4	124.196
Cl3	C1	H4	112.382	H5	C2	H6	118.172

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

using model chemistry: B3LYP/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
1	C	-0.174
2	C	-0.198
3	Cl	-0.029
4	H	0.149
5	H	0.129
6	H	0.122

	x	y	z	Total
	0.669	1.464	0.000	1.609
CHELPG
AIM
ESP

	x	y	z
x	5.683	1.465	0.000
y	1.465	5.492	-0.001
z	0.000	-0.001	2.049

<r²>	69.066
(<r²>)^1/2	8.311

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

using model chemistry: B3LYP/6-31G**

States and conformations

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