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	hartrees
Energy at 0K	-351.847892
Energy at 298.15K
HF Energy	-351.450778
Nuclear repulsion energy	166.516653

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	2439	2439	0.00	611.75	0.23	0.37
2	Σ_g	1442	1442	0.00	52.67	0.42	0.59
3	Σ_g	560	560	0.00	8.88	0.13	0.23
4	Σ_u	2339	2339	400.88	0.00	0.00	0.00
5	Σ_u	1087	1087	329.39	0.00	0.00	0.00
6	Π_g	506	506	0.00	18.67	0.75	0.86
6	Π_g	506	506	0.00	18.67	0.75	0.86
7	Π_g	314	314	0.00	8.98	0.75	0.86
7	Π_g	314	314	0.00	8.98	0.75	0.86
8	Π_u	389	389	1.04	0.00	0.75	0.86
8	Π_u	389	389	1.04	0.00	0.00	0.00
9	Π_u	111	111	0.47	0.00	0.00	0.00
9	Π_u	111	111	0.47	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.683
C2	0.000	0.000	-0.683
C3	0.000	0.000	1.884
C4	0.000	0.000	-1.884
F5	0.000	0.000	3.158
F6	0.000	0.000	-3.158

	C1	C2	C3	C4	F5	F6
C1		1.3660	1.2012	2.5671	2.4751	3.8410
C2	1.3660		2.5671	1.2012	3.8410	2.4751
C3	1.2012	2.5671		3.7683	1.2739	5.0422
C4	2.5671	1.2012	3.7683		5.0422	1.2739
F5	2.4751	3.8410	1.2739	5.0422		6.3161
F6	3.8410	2.4751	5.0422	1.2739	6.3161

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=FULLultrafine/6-311+G(3df,2p)

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=FULLultrafine/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)