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	hartrees
Energy at 0K	-350.888825
Energy at 298.15K
HF Energy	-350.165507
Nuclear repulsion energy	165.878559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2621	2416	0.00
2	Σ_g	1480	1365	0.00
3	Σ_g	577	532	0.00
4	Σ_u	2492	2297	383.38
5	Σ_u	1130	1042	330.49
6	Π_g	530	488	0.00
6	Π_g	530	488	0.00
7	Π_g	350	323	0.00
7	Π_g	350	323	0.00
8	Π_u	455	420	5.71
8	Π_u	455	420	5.71
9	Π_u	118	109	0.33
9	Π_u	118	109	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.696
C2	0.000	0.000	-0.696
C3	0.000	0.000	1.895
C4	0.000	0.000	-1.895
F5	0.000	0.000	3.171
F6	0.000	0.000	-3.171

	C1	C2	C3	C4	F5	F6
C1		1.3916	1.1994	2.5910	2.4755	3.8671
C2	1.3916		2.5910	1.1994	3.8671	2.4755
C3	1.1994	2.5910		3.7903	1.2761	5.0664
C4	2.5910	1.1994	3.7903		5.0664	1.2761
F5	2.4755	3.8671	1.2761	5.0664		6.3425
F6	3.8671	2.4755	5.0664	1.2761	6.3425

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: CISD/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: CISD/cc-pVDZ

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)