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	hartrees
Energy at 0K	-351.432722
Energy at 298.15K
HF Energy	-351.220537
Nuclear repulsion energy	162.884024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ_g	2450	2450	0.00	452.81	0.32	0.49
2	Σ_g	1385	1385	0.00	34.11	0.33	0.50
3	Σ_g	542	542	0.00	8.48	0.25	0.40
4	Σ_u	2322	2322	179.27	0.00	0.00	0.00
5	Σ_u	1012	1012	186.97	0.00	0.00	0.00
6	Π_g	267	267	0.00	2.39	0.75	0.86
6	Π_g	267	267	0.00	2.39	0.75	0.86
7	Π_g	391i	391i	0.00	50.11	0.75	0.86
7	Π_g	391i	391i	0.00	50.11	0.75	0.86
8	Π_u	173	173	0.69	0.00	0.00	0.00
8	Π_u	173	173	0.69	0.00	0.00	0.00
9	Π_u	56	56	0.02	0.00	0.00	0.00
9	Π_u	56	56	0.02	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.686
C2	0.000	0.000	-0.686
C3	0.000	0.000	1.901
C4	0.000	0.000	-1.901
F5	0.000	0.000	3.229
F6	0.000	0.000	-3.229

	C1	C2	C3	C4	F5	F6
C1		1.3716	1.2149	2.5865	2.5429	3.9145
C2	1.3716		2.5865	1.2149	3.9145	2.5429
C3	1.2149	2.5865		3.8014	1.3279	5.1294
C4	2.5865	1.2149	3.8014		5.1294	1.3279
F5	2.5429	3.9145	1.3279	5.1294		6.4573
F6	3.9145	2.5429	5.1294	1.3279	6.4573

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: B2PLYP=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: B2PLYP=FULL/6-31G

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)