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	hartrees
Energy at 0K	-376.092784
Energy at 298.15K	-376.094628
HF Energy	-376.092784
Nuclear repulsion energy	173.906376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3137	9.58
2	A'	1858	1785	82.56
3	A'	1392	1337	133.68
4	A'	1295	1244	203.39
5	A'	1199	1152	136.25
6	A'	959	922	58.63
7	A'	635	611	3.11
8	A'	493	474	1.68
9	A'	233	224	3.81
10	A"	791	760	35.11
11	A"	597	574	0.01
12	A"	316	303	3.68

Atom	x (Å)	y (Å)
C1	0.000	0.431
C2	-0.698	-0.689
F3	1.307	0.504
F4	-0.558	1.620
F5	-0.087	-1.874
H6	-1.776	-0.704

	C1	C2	F3	F4	F5	H6
C1		1.3197	1.3089	1.3130	2.3068	2.1084
C2	1.3197		2.3327	2.3130	1.3336	1.0784
F3	1.3089	2.3327		2.1731	2.7558	3.3115
F4	1.3130	2.3130	2.1731		3.5255	2.6246
F5	2.3068	1.3336	2.7558	3.5255		2.0550
H6	2.1084	1.0784	3.3115	2.6246	2.0550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.776	C1	C2	H6	122.768
C2	C1	F3	125.105	C2	C1	F4	122.940
F3	C1	F4	111.955	F5	C2	H6	116.456

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.304
2	C	-0.028
3	F	-0.116
4	F	-0.125
5	F	-0.158
6	H	0.123

	x	y	z	Total
	-1.173	0.198	0.000	1.189
CHELPG
AIM
ESP

	x	y	z
x	3.870	0.552	0.000
y	0.552	4.693	0.000
z	0.000	0.000	2.424

<r²>	102.659
(<r²>)^1/2	10.132

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)