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	hartrees
Energy at 0K	-351.898235
Energy at 298.15K
HF Energy	-351.898235
Nuclear repulsion energy	165.624852

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	2487	2382	0.00	496.18	0.32	0.48
2	Σ_g	1457	1396	0.00	40.49	0.32	0.49
3	Σ_g	569	545	0.00	8.77	0.24	0.39
4	Σ_u	2390	2290	346.01	0.00	0.00	0.00
5	Σ_u	1100	1054	310.07	0.00	0.00	0.00
6	Π_g	523	501	0.00	27.49	0.75	0.86
6	Π_g	523	501	0.00	27.49	0.75	0.86
7	Π_g	292	279	0.00	18.30	0.75	0.86
7	Π_g	292	279	0.00	18.30	0.75	0.86
8	Π_u	344	329	0.92	0.00	0.00	0.00
8	Π_u	344	329	0.92	0.00	0.00	0.00
9	Π_u	121	116	0.21	0.00	0.00	0.00
9	Π_u	121	116	0.21	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.684
C2	0.000	0.000	-0.684
C3	0.000	0.000	1.891
C4	0.000	0.000	-1.891
F5	0.000	0.000	3.175
F6	0.000	0.000	-3.175

	C1	C2	C3	C4	F5	F6
C1		1.3688	1.2064	2.5752	2.4906	3.8594
C2	1.3688		2.5752	1.2064	3.8594	2.4906
C3	1.2064	2.5752		3.7816	1.2841	5.0658
C4	2.5752	1.2064	3.7816		5.0658	1.2841
F5	2.4906	3.8594	1.2841	5.0658		6.3499
F6	3.8594	2.4906	5.0658	1.2841	6.3499

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: B3LYPultrafine/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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Number	Element	Mulliken
1	C	0.715
2	C	0.715
3	C	-0.559
4	C	-0.559
5	F	-0.157
6	F	-0.157

<r²>	248.263
(<r²>)^1/2	15.756

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)