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	hartrees
Energy at 0K	-351.008485
Energy at 298.15K
HF Energy	-350.140084
Nuclear repulsion energy	164.907476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2534	2407	0.00
2	Σ_g	1442	1369	0.00
3	Σ_g	559	530	0.00
4	Σ_u	2409	2288	283.97
5	Σ_u	1092	1037	258.01
6	Π_g	551	523	0.00
6	Π_g	551	523	0.00
7	Π_g	317	301	0.00
7	Π_g	317	301	0.00
8	Π_u	388	368	3.38
8	Π_u	388	368	3.38
9	Π_u	120	114	0.06
9	Π_u	120	114	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.693
C2	0.000	0.000	-0.693
C3	0.000	0.000	1.897
C4	0.000	0.000	-1.897
F5	0.000	0.000	3.189
F6	0.000	0.000	-3.189

	C1	C2	C3	C4	F5	F6
C1		1.3855	1.2042	2.5896	2.4967	3.8822
C2	1.3855		2.5896	1.2042	3.8822	2.4967
C3	1.2042	2.5896		3.7938	1.2926	5.0864
C4	2.5896	1.2042	3.7938		5.0864	1.2926
F5	2.4967	3.8822	1.2926	5.0864		6.3789
F6	3.8822	2.4967	5.0864	1.2926	6.3789

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: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)