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	hartrees
Energy at 0K	-349.627665
Energy at 298.15K
HF Energy	-349.418612
Nuclear repulsion energy	164.378502

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	2497	2497	0.00	385.16	0.34	0.51
2	Σ_g	1450	1450	0.00	41.07	0.34	0.50
3	Σ_g	562	562	0.00	7.13	0.27	0.42
4	Σ_u	2379	2379	191.10	0.00	0.00	0.00
5	Σ_u	1097	1097	176.16	0.00	0.00	0.00
6	Π_g	393	393	0.00	48.32	0.75	0.86
6	Π_g	393	393	0.00	48.32	0.75	0.86
7	Π_g	297	297	0.00	3.43	0.75	0.86
7	Π_g	297	297	0.00	3.42	0.75	0.86
8	Π_u	410	410	2.31	0.00	0.00	0.00
8	Π_u	410	410	2.31	0.00	0.75	0.86
9	Π_u	88	88	0.23	0.00	0.75	0.86
9	Π_u	88	88	0.23	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.681
C2	0.000	0.000	-0.681
C3	0.000	0.000	1.887
C4	0.000	0.000	-1.887
F5	0.000	0.000	3.199
F6	0.000	0.000	-3.199

	C1	C2	C3	C4	F5	F6
C1		1.3616	1.2067	2.5683	2.5183	3.8799
C2	1.3616		2.5683	1.2067	3.8799	2.5183
C3	1.2067	2.5683		3.7749	1.3117	5.0866
C4	2.5683	1.2067	3.7749		5.0866	1.3117
F5	2.5183	3.8799	1.3117	5.0866		6.3983
F6	3.8799	2.5183	5.0866	1.3117	6.3983

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/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)