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	hartrees
Energy at 0K	-348.855248
Energy at 298.15K
HF Energy	-348.242564
Nuclear repulsion energy	163.106500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2501	2404	0.00
2	Σ_g	1403	1349	0.00
3	Σ_g	543	522	0.00
4	Σ_u	2369	2277	124.65
5	Σ_u	1072	1030	138.34
6	Π_g	332	319	0.00
6	Π_g	332	319	0.00
7	Π_g	320i	308i	0.00
7	Π_g	320i	308i	0.00
8	Π_u	374	359	5.19
8	Π_u	374	359	5.19
9	Π_u	65	63	0.17
9	Π_u	65	63	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.691
C2	0.000	0.000	-0.691
C3	0.000	0.000	1.900
C4	0.000	0.000	-1.900
F5	0.000	0.000	3.225
F6	0.000	0.000	-3.225

	C1	C2	C3	C4	F5	F6
C1		1.3829	1.2090	2.5919	2.5333	3.9163
C2	1.3829		2.5919	1.2090	3.9163	2.5333
C3	1.2090	2.5919		3.8009	1.3244	5.1252
C4	2.5919	1.2090	3.8009		5.1252	1.3244
F5	2.5333	3.9163	1.3244	5.1252		6.4496
F6	3.9163	2.5333	5.1252	1.3244	6.4496

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	C4	180.000		C1	C3	F5	180.000
C2	C1	C3	180.000		C2	C4	F6	180.000

All results from a given calculation for C₄F₂ (difluorobutadiyne)

using model chemistry: QCISD/3-21G*

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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All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: QCISD/3-21G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)