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	hartrees
Energy at 0K	-375.932054
Energy at 298.15K	-375.933738
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3159	6.84
2	A'	1785	1775	66.80
3	A'	1327	1320	125.20
4	A'	1234	1227	193.83
5	A'	1150	1143	112.72
6	A'	910	905	53.71
7	A'	603	600	2.60
8	A'	468	465	1.43
9	A'	217	216	3.49
10	A"	731	727	28.36
11	A"	553	549	0.30
12	A"	299	298	2.74

Atom	x (Å)	y (Å)
C1	0.000	0.438
C2	-0.701	-0.705
F3	1.327	0.525
F4	-0.580	1.638
F5	-0.080	-1.905
H6	-1.798	-0.720

	C1	C2	F3	F4	F5	H6
C1		1.3408	1.3297	1.3334	2.3441	2.1384
C2	1.3408		2.3715	2.3467	1.3509	1.0968
F3	1.3297	2.3715		2.2086	2.8071	3.3633
F4	1.3334	2.3467	2.2086		3.5784	2.6544
F5	2.3441	1.3509	2.8071	3.5784		2.0866
H6	2.1384	1.0968	3.3633	2.6544	2.0866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	121.113	C1	C2	H6	122.307
C2	C1	F3	125.247	C2	C1	F4	122.690
F3	C1	F4	112.063	F5	C2	H6	116.580

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: PBEPBE/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	0.207
2	C	0.087
3	F	-0.096
4	F	-0.103
5	F	-0.134
6	H	0.038

	x	y	z	Total
	-0.997	0.196	0.000	1.016
CHELPG
AIM
ESP

	x	y	z
x	3.659	0.558	0.000
y	0.558	4.500	0.000
z	0.000	0.000	1.827

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)