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	hartrees
Energy at 0K	-513.154783
Energy at 298.15K	-513.155148
HF Energy	-513.154783
Nuclear repulsion energy	283.568887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1606	1545	0.00
2	A₁	741	712	0.00
3	A₁	392	377	0.00
4	B₁	155	149	0.00
5	B₂	2171	2088	1063.65
6	B₂	1056	1015	561.34
7	B₂	577	555	21.28
8	E	1262	1213	285.37
8	E	1262	1213	285.37
9	E	645	621	17.69
9	E	645	621	17.69
10	E	553	532	1.48
10	E	553	532	1.48
11	E	81	78	0.01
11	E	81	78	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.299
C3	0.000	0.000	-1.299
F4	0.000	1.076	2.064
F5	0.000	-1.076	2.064
F6	1.076	0.000	-2.064
F7	-1.076	0.000	-2.064

	C1	C2	C3	F4	F5	F6	F7
C1		1.2993	1.2993	2.3272	2.3272	2.3272	2.3272
C2	1.2993		2.5986	1.3197	1.3197	3.5308	3.5308
C3	1.2993	2.5986		3.5308	3.5308	1.3197	1.3197
F4	2.3272	1.3197	3.5308		2.1520	4.3986	4.3986
F5	2.3272	1.3197	3.5308	2.1520		4.3986	4.3986
F6	2.3272	3.5308	1.3197	4.3986	4.3986		2.1520
F7	2.3272	3.5308	1.3197	4.3986	4.3986	2.1520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	125.384	C1	C2	F5	125.384
C1	C3	F6	125.384	C1	C3	F7	125.384
C2	C1	C3	180.000	F4	C2	F5	109.232
F6	C3	F7	109.232

All results from a given calculation for F₂CCCF₂ (tetrafluoroallene)

using model chemistry: PBE1PBE/aug-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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Number	Element	Mulliken
1	C	-0.892
2	C	1.313
3	C	1.313
4	F	-0.434
5	F	-0.434
6	F	-0.434
7	F	-0.434

<r²>	238.325
(<r²>)^1/2	15.438

All results from a given calculation for F2CCCF2 (tetrafluoroallene)

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for F₂CCCF₂ (tetrafluoroallene)