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	hartrees
Energy at 0K	-376.299453
Energy at 298.15K	-376.301252
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3136	8.11
2	A'	1864	1787	79.35
3	A'	1387	1329	141.72
4	A'	1291	1237	214.41
5	A'	1191	1142	145.67
6	A'	953	914	63.64
7	A'	630	604	3.27
8	A'	488	468	2.09
9	A'	226	217	4.65
10	A"	781	749	35.82
11	A"	589	565	0.41
12	A"	313	300	4.67

Atom	x (Å)	y (Å)
C1	0.000	0.431
C2	-0.695	-0.690
F3	1.309	0.509
F4	-0.565	1.620
F5	-0.083	-1.877
H6	-1.774	-0.714

	C1	C2	F3	F4	F5	H6
C1		1.3195	1.3110	1.3159	2.3099	2.1114
C2	1.3195		2.3354	2.3136	1.3355	1.0785
F3	1.3110	2.3354		2.1781	2.7624	3.3161
F4	1.3159	2.3136	2.1781		3.5299	2.6286
F5	2.3099	1.3355	2.7624	3.5299		2.0515
H6	2.1114	1.0785	3.3161	2.6286	2.0515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.924	C1	C2	H6	123.093
C2	C1	F3	125.195	C2	C1	F4	122.781
F3	C1	F4	112.024	F5	C2	H6	115.983

All results from a given calculation for C₂HF₃ (Trifluoroethylene)

using model chemistry: B1B95/6-311G*

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	0.384
2	C	-0.078
3	F	-0.165
4	F	-0.177
5	F	-0.201
6	H	0.237

	x	y	z	Total
	-1.260	0.184	0.000	1.274
CHELPG
AIM
ESP

	x	y	z
x	3.470	0.563	0.000
y	0.563	4.306	0.000
z	0.000	0.000	1.951

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2HF3 (Trifluoroethylene)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for C₂HF₃ (Trifluoroethylene)