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	hartrees
Energy at 0K	-375.927451
Energy at 298.15K	-375.929137
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3135	7.62
2	A'	1780	1762	60.63
3	A'	1343	1329	110.98
4	A'	1257	1244	176.18
5	A'	1169	1157	98.93
6	A'	923	913	43.97
7	A'	609	603	2.83
8	A'	473	468	1.28
9	A'	216	214	3.17
10	A"	724	716	26.70
11	A"	552	547	0.91
12	A"	299	296	2.13

Atom	x (Å)	y (Å)
C1	0.000	0.438
C2	-0.698	-0.702
F3	1.317	0.518
F4	-0.574	1.630
F5	-0.079	-1.892
H6	-1.787	-0.722

	C1	C2	F3	F4	F5	H6
C1		1.3366	1.3199	1.3233	2.3308	2.1305
C2	1.3366		2.3564	2.3352	1.3412	1.0894
F3	1.3199	2.3564		2.1940	2.7856	3.3434
F4	1.3233	2.3352	2.1940		3.5563	2.6460
F5	2.3308	1.3412	2.7856	3.5563		2.0707
H6	2.1305	1.0894	3.3434	2.6460	2.0707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	121.016	C1	C2	H6	122.519
C2	C1	F3	125.001	C2	C1	F4	122.790
F3	C1	F4	112.209	F5	C2	H6	116.465

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: PBEPBE/6-31G(2df,p)

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	0.177
2	C	-0.254
3	F	-0.006
4	F	-0.018
5	F	-0.040
6	H	0.141

	x	y	z	Total
	-0.954	0.209	0.000	0.977
CHELPG
AIM
ESP

	x	y	z
x	3.952	0.550	0.000
y	0.550	4.827	0.000
z	0.000	0.000	2.306

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)