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	hartrees
Energy at 0K	-376.096517
Energy at 298.15K	-376.098236
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3163	7.22
2	A'	1868	1768	51.68
3	A'	1385	1311	75.11
4	A'	1273	1205	138.03
5	A'	1166	1104	120.90
6	A'	919	870	49.36
7	A'	600	568	3.43
8	A'	459	435	3.90
9	A'	225	213	5.88
10	A"	841	796	39.92
11	A"	549	520	0.56
12	A"	300	284	9.43

Atom	x (Å)	y (Å)
C1	0.000	0.429
C2	-0.719	-0.681
F3	1.351	0.494
F4	-0.568	1.663
F5	-0.104	-1.911
H6	-1.795	-0.699

	C1	C2	F3	F4	F5	H6
C1		1.3225	1.3529	1.3582	2.3425	2.1197
C2	1.3225		2.3804	2.3486	1.3749	1.0760
F3	1.3529	2.3804		2.2473	2.8114	3.3646
F4	1.3582	2.3486	2.2473		3.6038	2.6610
F5	2.3425	1.3749	2.8114	3.6038		2.0800
H6	2.1197	1.0760	3.3646	2.6610	2.0800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.538	C1	C2	H6	123.867
C2	C1	F3	125.674	C2	C1	F4	122.346
F3	C1	F4	111.980	F5	C2	H6	115.595

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: mPW1PW91/6-31G

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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Number	Element	Mulliken
1	C	0.548
2	C	0.102
3	F	-0.276
4	F	-0.287
5	F	-0.306
6	H	0.218

	x	y	z	Total
	-1.672	0.028	0.000	1.672
CHELPG
AIM
ESP

	x	y	z
x	3.318	0.532	0.000
y	0.532	4.228	0.000
z	0.000	0.000	1.391

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: mPW1PW91/6-31G

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)