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	hartrees
Energy at 0K	-537.432968
Energy at 298.15K	-537.435737
HF Energy	-536.947870
Nuclear repulsion energy	88.924827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3337	3152	0.25
2	A'	3284	3101	4.62
3	A'	3229	3049	0.94
4	A'	1665	1573	42.37
5	A'	1419	1340	7.49
6	A'	1315	1242	11.07
7	A'	1050	992	16.32
8	A'	750	708	33.09
9	A'	399	377	0.32
10	A"	997	942	30.14
11	A"	924	872	26.77
12	A"	645	609	8.77

Atom	x (Å)	y (Å)
C1	0.000	0.759
C2	1.303	1.025
Cl3	-0.631	-0.854
H4	-0.776	1.512
H5	2.053	0.245
H6	1.634	2.055

	C1	C2	Cl3	H4	H5	H6
C1		1.3294	1.7320	1.0815	2.1158	2.0854
C2	1.3294		2.6958	2.1353	1.0815	1.0822
Cl3	1.7320	2.6958		2.3704	2.8999	3.6865
H4	1.0815	2.1353	2.3704		3.0995	2.4707
H5	2.1158	1.0815	2.8999	3.0995		1.8571
H6	2.0854	1.0822	3.6865	2.4707	1.8571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.381	C1	C2	H6	119.360
C2	C1	Cl3	122.885	C2	C1	H4	124.350
Cl3	C1	H4	112.765	H5	C2	H6	118.259

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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