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	hartrees
Energy at 0K	-375.635677
Energy at 298.15K	-375.637499
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	3137	7.90
2	A'	1852	1754	72.12
3	A'	1404	1329	133.66
4	A'	1305	1236	192.35
5	A'	1198	1134	143.15
6	A'	950	900	60.26
7	A'	633	600	3.33
8	A'	492	466	2.36
9	A'	233	221	4.91
10	A"	785	744	37.04
11	A"	592	561	0.85
12	A"	317	300	4.98

Atom	x (Å)	y (Å)
C1	0.000	0.435
C2	-0.697	-0.696
F3	1.311	0.514
F4	-0.573	1.623
F5	-0.076	-1.883
H6	-1.775	-0.719

	C1	C2	F3	F4	F5	H6
C1		1.3284	1.3135	1.3185	2.3199	2.1176
C2	1.3284		2.3442	2.3215	1.3402	1.0790
F3	1.3135	2.3442		2.1863	2.7700	3.3237
F4	1.3185	2.3215	2.1863		3.5411	2.6319
F5	2.3199	1.3402	2.7700	3.5411		2.0603
H6	2.1176	1.0790	3.3237	2.6319	2.0603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.767	C1	C2	H6	122.863
C2	C1	F3	125.085	C2	C1	F4	122.584
F3	C1	F4	112.331	F5	C2	H6	116.370

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

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 C2HF3 (Trifluoroethylene)

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

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)