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	hartrees
Energy at 0K	-350.987538
Energy at 298.15K
HF Energy	-350.139195
Nuclear repulsion energy	164.608456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2520	2400	0.00
2	Σ_g	1436	1367	0.00
3	Σ_g	556	530	0.00
4	Σ_u	2394	2280	280.43
5	Σ_u	1085	1034	252.65
6	Π_g	483	460	0.00
6	Π_g	483	460	0.00
7	Π_g	301	287	0.00
7	Π_g	301	287	0.00
8	Π_u	351	335	3.12
8	Π_u	351	335	3.12
9	Π_u	116	111	0.09
9	Π_u	116	111	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.694
C2	0.000	0.000	-0.694
C3	0.000	0.000	1.900
C4	0.000	0.000	-1.900
F5	0.000	0.000	3.195
F6	0.000	0.000	-3.195

	C1	C2	C3	C4	F5	F6
C1		1.3874	1.2066	2.5940	2.5015	3.8889
C2	1.3874		2.5940	1.2066	3.8889	2.5015
C3	1.2066	2.5940		3.8006	1.2949	5.0955
C4	2.5940	1.2066	3.8006		5.0955	1.2949
F5	2.5015	3.8889	1.2949	5.0955		6.3905
F6	3.8889	2.5015	5.0955	1.2949	6.3905

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/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)