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	hartrees
Energy at 0K	-351.037601
Energy at 298.15K
HF Energy	-350.162541
Nuclear repulsion energy	164.709093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2538	2387	0.00
2	Σ_g	1442	1356	0.00
3	Σ_g	562	528	0.00
4	Σ_u	2420	2276	333.26
5	Σ_u	1096	1031	310.42
6	Π_g	470	442	0.00
6	Π_g	470	442	0.00
7	Π_g	327	308	0.00
7	Π_g	327	308	0.00
8	Π_u	400	376	3.98
8	Π_u	400	376	3.98
9	Π_u	113	106	0.31
9	Π_u	113	106	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.697
C2	0.000	0.000	-0.697
C3	0.000	0.000	1.908
C4	0.000	0.000	-1.908
F5	0.000	0.000	3.193
F6	0.000	0.000	-3.193

	C1	C2	C3	C4	F5	F6
C1		1.3939	1.2110	2.6049	2.4964	3.8903
C2	1.3939		2.6049	1.2110	3.8903	2.4964
C3	1.2110	2.6049		3.8159	1.2854	5.1013
C4	2.6049	1.2110	3.8159		5.1013	1.2854
F5	2.4964	3.8903	1.2854	5.1013		6.3867
F6	3.8903	2.4964	5.1013	1.2854	6.3867

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/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: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)