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	hartrees
Energy at 0K	-375.965741
Energy at 298.15K	-375.967485
HF Energy	-375.716489
Nuclear repulsion energy	172.553010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	3144	6.56
2	A'	1860	1765	64.91
3	A'	1407	1336	112.82
4	A'	1309	1242	176.04
5	A'	1194	1134	131.98
6	A'	949	901	56.18
7	A'	621	590	3.00
8	A'	481	457	2.02
9	A'	227	215	4.40
10	A"	774	735	28.11
11	A"	554	526	1.94
12	A"	308	293	4.57

Atom	x (Å)	y (Å)
C1	0.000	0.434
C2	-0.710	-0.687
F3	1.321	0.493
F4	-0.558	1.637
F5	-0.091	-1.883
H6	-1.788	-0.708

	C1	C2	F3	F4	F5	H6
C1		1.3266	1.3220	1.3259	2.3187	2.1218
C2	1.3266		2.3484	2.3283	1.3470	1.0790
F3	1.3220	2.3484		2.1994	2.7637	3.3330
F4	1.3259	2.3283	2.1994		3.5505	2.6474
F5	2.3187	1.3470	2.7637	3.5505		2.0651
H6	2.1218	1.0790	3.3330	2.6474	2.0651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.288	C1	C2	H6	123.450
C2	C1	F3	124.916	C2	C1	F4	122.754
F3	C1	F4	112.329	F5	C2	H6	116.262

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: B2PLYP/6-31G*

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	0.602
2	C	0.065
3	F	-0.274
4	F	-0.283
5	F	-0.306
6	H	0.196

	x	y	z
x	3.480	0.576	0.000
y	0.576	4.305	0.000
z	0.000	0.000	1.801

<r²>	103.667
(<r²>)^1/2	10.182

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)