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	hartrees
Energy at 0K	-351.699962
Energy at 298.15K
HF Energy	-351.699962
Nuclear repulsion energy	164.928433

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	2416	2369	0.00	472.76	0.32	0.48
2	Σ_g	1438	1410	0.00	40.32	0.32	0.48
3	Σ_g	560	549	0.00	12.04	0.25	0.40
4	Σ_u	2326	2281	332.34	0.00	0.00	0.00
5	Σ_u	1074	1053	309.26	0.00	0.00	0.00
6	Π_g	460	451	0.00	18.86	0.75	0.86
6	Π_g	460	451	0.00	18.86	0.75	0.86
7	Π_g	254	249	0.00	25.58	0.75	0.86
7	Π_g	254	249	0.00	25.58	0.75	0.86
8	Π_u	280	274	0.34	0.00	0.00	0.00
8	Π_u	280	274	0.34	0.00	0.00	0.00
9	Π_u	116	114	0.36	0.00	0.00	0.00
9	Π_u	116	114	0.36	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.682
C2	0.000	0.000	-0.682
C3	0.000	0.000	1.899
C4	0.000	0.000	-1.899
F5	0.000	0.000	3.188
F6	0.000	0.000	-3.188

	C1	C2	C3	C4	F5	F6
C1		1.3646	1.2169	2.5815	2.5056	3.8701
C2	1.3646		2.5815	1.2169	3.8701	2.5056
C3	1.2169	2.5815		3.7985	1.2886	5.0871
C4	2.5815	1.2169	3.7985		5.0871	1.2886
F5	2.5056	3.8701	1.2886	5.0871		6.3757
F6	3.8701	2.5056	5.0871	1.2886	6.3757

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: B97D3/6-31G*

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	0.644
2	C	0.644
3	C	-0.500
4	C	-0.500
5	F	-0.144
6	F	-0.144

<r²>	249.857
(<r²>)^1/2	15.807

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)