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	hartrees
Energy at 0K	-637.162867
Energy at 298.15K
HF Energy	-636.921099
Nuclear repulsion energy	149.620699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3336	3336	0.54
2	A'	3225	3225	4.77
3	A'	1733	1733	138.86
4	A'	1423	1423	4.13
5	A'	1220	1220	178.53
6	A'	978	978	28.54
7	A'	700	700	46.30
8	A'	436	436	1.25
9	A'	372	372	0.15
10	A"	861	861	54.38
11	A"	736	736	0.23
12	A"	547	547	0.12

Atom	x (Å)	y (Å)
C1	0.000	0.459
C2	-1.024	1.296
F3	1.261	0.848
Cl4	-0.137	-1.261
H5	-0.838	2.359
H6	-2.035	0.925

	C1	C2	F3	Cl4	H5	H6
C1		1.3223	1.3193	1.7256	2.0771	2.0873
C2	1.3223		2.3279	2.7064	1.0796	1.0767
F3	1.3193	2.3279		2.5301	2.5866	3.2962
Cl4	1.7256	2.7064	2.5301		3.6879	2.8950
H5	2.0771	1.0796	2.5866	3.6879		1.8678
H6	2.0873	1.0767	3.2962	2.8950	1.8678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.372	C1	C2	H6	120.595
C2	C1	F3	123.592	C2	C1	Cl4	124.711
F3	C1	Cl4	111.697	H5	C2	H6	120.033

All results from a given calculation for C₂H₂ClF (1-chloro-1-fluoroethylene)

using model chemistry: B2PLYP=FULLultrafine/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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HF vs MP2 Bad vib. Calc. vs exp. 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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 C2H2ClF (1-chloro-1-fluoroethylene)

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₂ClF (1-chloro-1-fluoroethylene)