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	hartrees
Energy at 0K	-538.250829
Energy at 298.15K	-538.253585
Nuclear repulsion energy	88.803280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3238	3131	1.82
2	A'	3201	3096	3.17
3	A'	3148	3044	0.02
4	A'	1663	1608	60.98
5	A'	1410	1363	9.02
6	A'	1306	1263	10.10
7	A'	1045	1010	15.88
8	A'	707	684	43.58
9	A'	402	389	0.23
10	A"	981	948	28.06
11	A"	937	906	37.50
12	A"	639	618	14.16

Atom	x (Å)	y (Å)
C1	0.000	0.759
C2	1.290	1.043
Cl3	-0.624	-0.863
H4	-0.782	1.504
H5	2.052	0.278
H6	1.607	2.077

	C1	C2	Cl3	H4	H5	H6
C1		1.3204	1.7383	1.0797	2.1079	2.0780
C2	1.3204		2.7011	2.1223	1.0803	1.0813
Cl3	1.7383	2.7011		2.3718	2.9095	3.6906
H4	1.0797	2.1223	2.3718		3.0881	2.4570
H5	2.1079	1.0803	2.9095	3.0881		1.8532
H6	2.0780	1.0813	3.6906	2.4570	1.8532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.496	C1	C2	H6	119.480
C2	C1	Cl3	123.457	C2	C1	H4	124.016
Cl3	C1	H4	112.527	H5	C2	H6	118.024

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

using model chemistry: B3LYP/6-311+G(3df,2p)

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	-0.092
2	C	-0.168
3	Cl	-0.221
4	H	0.159
5	H	0.164
6	H	0.158

	x	y	z	Total
	0.613	1.325	0.000	1.460
CHELPG
AIM
ESP

	x	y	z
x	7.022	1.461	0.000
y	1.461	6.658	0.000
z	0.000	0.000	4.459

<r²>	68.805
(<r²>)^1/2	8.295

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

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

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