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	hartrees
Energy at 0K	-351.016713
Energy at 298.15K
HF Energy	-350.153622
Nuclear repulsion energy	165.220708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2558	2383	0.00
2	Σ_g	1443	1344	0.00
3	Σ_g	562	524	0.00
4	Σ_u	2438	2271	317.86
5	Σ_u	1092	1018	303.91
6	Π_g	801	747	0.00
6	Π_g	801	747	0.00
7	Π_g	347	324	0.00
7	Π_g	347	324	0.00
8	Π_u	498	464	2.62
8	Π_u	498	464	2.62
9	Π_u	125	116	0.10
9	Π_u	125	116	0.10

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	1.893
C4	0.000	0.000	-1.893
F5	0.000	0.000	3.184
F6	0.000	0.000	-3.184

	C1	C2	C3	C4	F5	F6
C1		1.3846	1.2006	2.5851	2.4913	3.8758
C2	1.3846		2.5851	1.2006	3.8758	2.4913
C3	1.2006	2.5851		3.7857	1.2907	5.0764
C4	2.5851	1.2006	3.7857		5.0764	1.2907
F5	2.4913	3.8758	1.2907	5.0764		6.3671
F6	3.8758	2.4913	5.0764	1.2907	6.3671

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: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)