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	hartrees
Energy at 0K	-534.735333
Energy at 298.15K	-534.738116
HF Energy	-534.422278
Nuclear repulsion energy	88.017044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	3131	2.92
2	A'	3260	3101	2.91
3	A'	3197	3041	0.00
4	A'	1659	1579	33.42
5	A'	1488	1415	11.21
6	A'	1371	1304	9.68
7	A'	1109	1055	15.51
8	A'	698	664	34.79
9	A'	414	394	0.44
10	A"	1008	959	50.22
11	A"	960	914	35.63
12	A"	649	618	11.52

Atom	x (Å)	y (Å)
C1	0.000	0.773
C2	1.308	1.040
Cl3	-0.634	-0.866
H4	-0.776	1.527
H5	2.059	0.257
H6	1.651	2.069

	C1	C2	Cl3	H4	H5	H6
C1		1.3352	1.7575	1.0820	2.1221	2.0989
C2	1.3352		2.7214	2.1402	1.0841	1.0848
Cl3	1.7575	2.7214		2.3976	2.9178	3.7199
H4	1.0820	2.1402	2.3976		3.1058	2.4863
H5	2.1221	1.0841	2.9178	3.1058		1.8571
H6	2.0989	1.0848	3.7199	2.4863	1.8571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.265	C1	C2	H6	119.938
C2	C1	Cl3	122.686	C2	C1	H4	124.271
Cl3	C1	H4	113.043	H5	C2	H6	117.797

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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