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	hartrees
Energy at 0K	-537.464010
Energy at 298.15K	-537.466772
HF Energy	-536.972276
Nuclear repulsion energy	88.771622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	3133	2.17
2	A'	3256	3084	6.34
3	A'	3201	3032	0.05
4	A'	1669	1581	49.26
5	A'	1431	1355	9.24
6	A'	1334	1263	7.59
7	A'	1069	1013	20.94
8	A'	753	714	34.81
9	A'	406	385	0.07
10	A"	983	931	48.60
11	A"	883	836	39.32
12	A"	633	599	14.31

Atom	x (Å)	y (Å)
C1	0.000	0.757
C2	1.304	1.028
Cl3	-0.632	-0.855
H4	-0.771	1.517
H5	2.054	0.246
H6	1.632	2.060

	C1	C2	Cl3	H4	H5	H6
C1		1.3323	1.7307	1.0830	2.1162	2.0889
C2	1.3323		2.7005	2.1323	1.0831	1.0834
Cl3	1.7307	2.7005		2.3759	2.9021	3.6909
H4	1.0830	2.1323	2.3759		3.0976	2.4636
H5	2.1162	1.0831	2.9021	3.0976		1.8632
H6	2.0889	1.0834	3.6909	2.4636	1.8632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.019	C1	C2	H6	119.345
C2	C1	Cl3	123.160	C2	C1	H4	123.644
Cl3	C1	H4	113.197	H5	C2	H6	118.636

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

using model chemistry: MP2=FULL/6-311G*

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: MP2=FULL/6-311G*

States and conformations

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