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	hartrees
Energy at 0K	-351.096833
Energy at 298.15K
HF Energy	-350.176039
Nuclear repulsion energy	163.737881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2475	2398	0.00
2	Σ_g	1398	1354	0.00
3	Σ_g	544	527	0.00
4	Σ_u	2344	2270	312.44
5	Σ_u	1049	1016	279.52
6	Π_g	324	314	0.00
6	Π_g	324	314	0.00
7	Π_g	131i	127i	0.00
7	Π_g	131i	127i	0.00
8	Π_u	379	367	1.16
8	Π_u	379	367	1.16
9	Π_u	88	86	0.26
9	Π_u	88	86	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.699
C2	0.000	0.000	-0.699
C3	0.000	0.000	1.916
C4	0.000	0.000	-1.916
F5	0.000	0.000	3.212
F6	0.000	0.000	-3.212

	C1	C2	C3	C4	F5	F6
C1		1.3982	1.2173	2.6156	2.5130	3.9113
C2	1.3982		2.6156	1.2173	3.9113	2.5130
C3	1.2173	2.6156		3.8329	1.2957	5.1286
C4	2.6156	1.2173	3.8329		5.1286	1.2957
F5	2.5130	3.9113	1.2957	5.1286		6.4243
F6	3.9113	2.5130	5.1286	1.2957	6.4243

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/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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All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: QCISD/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)