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	hartrees
Energy at 0K	-538.220169
Energy at 298.15K	-538.222910
Nuclear repulsion energy	88.074397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3259	3163	1.83
2	A'	3220	3124	3.50
3	A'	3159	3065	0.01
4	A'	1664	1615	64.01
5	A'	1392	1351	8.58
6	A'	1289	1251	12.21
7	A'	1030	1000	16.46
8	A'	703	682	45.50
9	A'	397	386	0.33
10	A"	961	933	39.70
11	A"	936	908	27.37
12	A"	632	614	13.60

Atom	x (Å)	y (Å)
C1	0.000	0.768
C2	1.300	1.050
Cl3	-0.629	-0.870
H4	-0.792	1.515
H5	2.065	0.275
H6	1.618	2.093

	C1	C2	Cl3	H4	H5	H6
C1		1.3301	1.7548	1.0889	2.1233	2.0914
C2	1.3301		2.7216	2.1432	1.0889	1.0902
Cl3	1.7548	2.7216		2.3908	2.9276	3.7186
H4	1.0889	2.1432	2.3908		3.1148	2.4789
H5	2.1233	1.0889	2.9276	3.1148		1.8712
H6	2.0914	1.0902	3.7186	2.4789	1.8712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.424	C1	C2	H6	119.229
C2	C1	Cl3	123.238	C2	C1	H4	124.445
Cl3	C1	H4	112.317	H5	C2	H6	118.348

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

using model chemistry: B3LYP/aug-cc-pVDZ

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	0.422
2	C	1.080
3	Cl	-0.141
4	H	-0.505
5	H	-0.425
6	H	-0.431

	x	y	z
x	7.126	1.468	0.006
y	1.468	6.793	-0.000
z	0.006	-0.000	4.453

<r²>	69.681
(<r²>)^1/2	8.348

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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