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	hartrees
Energy at 0K	-376.163215
Energy at 298.15K
Nuclear repulsion energy	172.807697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3268	3154	7.35
2	A'	1861	1796	77.11
3	A'	1384	1335	145.28
4	A'	1283	1238	199.02
5	A'	1189	1148	129.52
6	A'	946	913	60.61
7	A'	626	604	2.97
8	A'	486	469	1.79
9	A'	226	218	4.15
10	A"	782	755	30.45
11	A"	590	569	0.38
12	A"	313	302	4.11

Atom	x (Å)	y (Å)
C1	0.000	0.434
C2	-0.695	-0.698
F3	1.314	0.521
F4	-0.573	1.624
F5	-0.079	-1.888
H6	-1.783	-0.715

	C1	C2	F3	F4	F5	H6
C1		1.3285	1.3167	1.3207	2.3234	2.1211
C2	1.3285		2.3499	2.3253	1.3400	1.0883
F3	1.3167	2.3499		2.1855	2.7827	3.3344
F4	1.3207	2.3253	2.1855		3.5466	2.6331
F5	2.3234	1.3400	2.7827	3.5466		2.0693
H6	2.1211	1.0883	3.3344	2.6331	2.0693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	121.081	C1	C2	H6	122.407
C2	C1	F3	125.338	C2	C1	F4	122.741
F3	C1	F4	111.921	F5	C2	H6	116.512

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: B3PW91/cc-pVDZ

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	0.262
2	C	0.100
3	F	-0.124
4	F	-0.132
5	F	-0.165
6	H	0.058

	x	y	z	Total
	-1.132	0.196	0.000	1.149
CHELPG
AIM
ESP

	x	y	z
x	3.480	0.579	0.000
y	0.579	4.299	0.000
z	0.000	0.000	1.790

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)