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	hartrees
Energy at 0K	-513.670145
Energy at 298.15K	-513.670628
HF Energy	-513.670145
Nuclear repulsion energy	285.144270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1611	1537	0.00
2	A₁	753	718	0.00
3	A₁	401	382	0.00
4	B₁	158	151	0.00
5	B₂	2164	2064	1060.27
6	B₂	1070	1021	594.66
7	B₂	595	568	20.71
8	E	1277	1218	328.06
8	E	1277	1218	328.06
9	E	665	634	28.92
9	E	665	634	28.92
10	E	566	540	1.02
10	E	566	540	1.02
11	E	97	92	0.04
11	E	97	92	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.291
C3	0.000	0.000	-1.291
F4	0.000	1.072	2.049
F5	0.000	-1.072	2.049
F6	1.072	0.000	-2.049
F7	-1.072	0.000	-2.049

	C1	C2	C3	F4	F5	F6	F7
C1		1.2908	1.2908	2.3127	2.3127	2.3127	2.3127
C2	1.2908		2.5815	1.3134	1.3134	3.5078	3.5078
C3	1.2908	2.5815		3.5078	3.5078	1.3134	1.3134
F4	2.3127	1.3134	3.5078		2.1447	4.3698	4.3698
F5	2.3127	1.3134	3.5078	2.1447		4.3698	4.3698
F6	2.3127	3.5078	1.3134	4.3698	4.3698		2.1447
F7	2.3127	3.5078	1.3134	4.3698	4.3698	2.1447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	125.267	C1	C2	F5	125.267
C1	C3	F6	125.267	C1	C3	F7	125.267
C2	C1	C3	180.000	F4	C2	F5	109.467
F6	C3	F7	109.467

All results from a given calculation for F₂CCCF₂ (tetrafluoroallene)

using model chemistry: mPW1PW91/TZVP

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	-0.223
2	C	0.361
3	C	0.361
4	F	-0.125
5	F	-0.125
6	F	-0.125
7	F	-0.125

<r²>	235.616
(<r²>)^1/2	15.350

All results from a given calculation for F2CCCF2 (tetrafluoroallene)

using model chemistry: mPW1PW91/TZVP

States and conformations

All results from a given calculation for F₂CCCF₂ (tetrafluoroallene)