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	hartrees
Energy at 0K	-537.301972
Energy at 298.15K	-537.304790
HF Energy	-536.933419
Nuclear repulsion energy	88.914694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3364	3108	3.86
2	A'	3331	3076	5.27
3	A'	3270	3021	0.05
4	A'	1767	1633	41.25
5	A'	1481	1368	7.85
6	A'	1376	1271	11.54
7	A'	1100	1016	16.69
8	A'	766	708	34.99
9	A'	416	384	0.31
10	A"	1026	948	41.92
11	A"	974	899	31.83
12	A"	661	611	10.11

Atom	x (Å)	y (Å)
C1	0.000	0.758
C2	1.293	1.034
Cl3	-0.627	-0.858
H4	-0.774	1.511
H5	2.050	0.263
H6	1.620	2.065

	C1	C2	Cl3	H4	H5	H6
C1		1.3222	1.7335	1.0797	2.1085	2.0812
C2	1.3222		2.6958	2.1211	1.0807	1.0811
Cl3	1.7335	2.6958		2.3736	2.9014	3.6866
H4	1.0797	2.1211	2.3736		3.0870	2.4568
H5	2.1085	1.0807	2.9014	3.0870		1.8530
H6	2.0812	1.0811	3.6866	2.4568	1.8530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.359	C1	C2	H6	119.647
C2	C1	Cl3	123.261	C2	C1	H4	123.724
Cl3	C1	H4	113.015	H5	C2	H6	117.994

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

using model chemistry: CID/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C2H3Cl (Ethene, chloro-)

using model chemistry: CID/6-31G*

States and conformations

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