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	hartrees
Energy at 0K	-374.595657
Energy at 298.15K	-374.597714
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3453	3135	9.04
2	A'	2044	1856	110.18
3	A'	1511	1372	177.06
4	A'	1392	1264	214.09
5	A'	1268	1151	204.25
6	A'	1024	930	86.65
7	A'	681	618	3.80
8	A'	529	480	2.78
9	A'	249	226	6.32
10	A"	917	833	34.66
11	A"	679	617	1.30
12	A"	350	318	8.32

Atom	x (Å)	y (Å)
C1	0.000	0.426
C2	-0.691	-0.683
F3	1.294	0.507
F4	-0.552	1.604
F5	-0.085	-1.862
H6	-1.766	-0.698

	C1	C2	F3	F4	F5	H6
C1		1.3064	1.2965	1.3011	2.2891	2.0937
C2	1.3064		2.3145	2.2912	1.3255	1.0754
F3	1.2965	2.3145		2.1470	2.7413	3.2893
F4	1.3011	2.2912	2.1470		3.4971	2.6030
F5	2.2891	1.3255	2.7413	3.4971		2.0446
H6	2.0937	1.0754	3.2893	2.6030	2.0446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.861	C1	C2	H6	122.756
C2	C1	F3	125.548	C2	C1	F4	122.967
F3	C1	F4	111.486	F5	C2	H6	116.383

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: HF/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	0.430
2	C	0.188
3	F	-0.210
4	F	-0.218
5	F	-0.258
6	H	0.068

	x	y	z	Total
	-1.418	0.240	0.000	1.438
CHELPG
AIM
ESP

	x	y	z
x	3.198	0.663	0.000
y	0.663	3.960	0.000
z	0.000	0.000	1.721

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)