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	hartrees
Energy at 0K	-375.937607
Energy at 298.15K	-375.939245
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3163	10.53
2	A'	1770	1750	70.49
3	A'	1316	1301	112.78
4	A'	1220	1206	222.41
5	A'	1140	1127	151.59
6	A'	906	896	56.16
7	A'	597	590	3.08
8	A'	462	457	1.96
9	A'	222	220	3.71
10	A"	723	715	39.09
11	A"	529	523	0.08
12	A"	292	289	3.60

Atom	x (Å)	y (Å)
C1	0.000	0.436
C2	-0.711	-0.699
F3	1.331	0.512
F4	-0.572	1.646
F5	-0.085	-1.902
H6	-1.799	-0.729

	C1	C2	F3	F4	F5	H6
C1		1.3389	1.3331	1.3389	2.3394	2.1434
C2	1.3389		2.3736	2.3491	1.3562	1.0891
F3	1.3331	2.3736		2.2158	2.7983	3.3671
F4	1.3389	2.3491	2.2158		3.5816	2.6730
F5	2.3394	1.3562	2.7983	3.5816		2.0777
H6	2.1434	1.0891	3.3671	2.6730	2.0777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.453	C1	C2	H6	123.625
C2	C1	F3	125.326	C2	C1	F4	122.627
F3	C1	F4	112.047	F5	C2	H6	115.922

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: PBEPBE/6-31+G**

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	0.444
2	C	0.130
3	F	-0.247
4	F	-0.254
5	F	-0.253
6	H	0.180

	x	y	z	Total
	-1.309	0.148	0.000	1.317
CHELPG
AIM
ESP

	x	y	z
x	4.302	0.573	0.000
y	0.573	5.305	0.000
z	0.000	0.000	2.818

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)