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	hartrees
Energy at 0K	-351.179532
Energy at 298.15K
HF Energy	-350.271510
Nuclear repulsion energy	166.107200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2536	2404	0.00
2	Σ_g	1439	1364	0.00
3	Σ_g	557	528	0.00
4	Σ_u	2412	2287	341.86
5	Σ_u	1097	1040	300.26
6	Π_g	307	291	0.00
6	Π_g	307	291	0.00
7	Π_g	269	255	0.00
7	Π_g	269	255	0.00
8	Π_u	345	327	3.34
8	Π_u	345	327	3.34
9	Π_u	97	92	0.30
9	Π_u	97	92	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.692
C2	0.000	0.000	-0.692
C3	0.000	0.000	1.888
C4	0.000	0.000	-1.888
F5	0.000	0.000	3.167
F6	0.000	0.000	-3.167

	C1	C2	C3	C4	F5	F6
C1		1.3831	1.1964	2.5795	2.4751	3.8582
C2	1.3831		2.5795	1.1964	3.8582	2.4751
C3	1.1964	2.5795		3.7759	1.2787	5.0546
C4	2.5795	1.1964	3.7759		5.0546	1.2787
F5	2.4751	3.8582	1.2787	5.0546		6.3334
F6	3.8582	2.4751	5.0546	1.2787	6.3334

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

using model chemistry: CCD/TZVP

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)