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	hartrees
Energy at 0K	-351.597774
Energy at 298.15K
HF Energy	-351.317076
Nuclear repulsion energy	165.249353

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	2463	2338	0.00	460.61	0.32	0.49
2	Σ_g	1452	1378	0.00	44.53	0.33	0.49
3	Σ_g	564	535	0.00	7.21	0.23	0.38
4	Σ_u	2362	2242	337.37	0.00	0.00	0.00
5	Σ_u	1092	1037	283.26	0.00	0.00	0.00
6	Π_g	493	468	0.00	25.86	0.75	0.86
6	Π_g	493	468	0.00	25.86	0.75	0.86
7	Π_g	291	277	0.00	17.10	0.75	0.86
7	Π_g	291	277	0.00	17.10	0.75	0.86
8	Π_u	337	320	1.40	0.00	0.00	0.00
8	Π_u	337	320	1.40	0.00	0.00	0.00
9	Π_u	119	112	0.18	0.00	0.00	0.00
9	Π_u	119	112	0.18	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.685
C2	0.000	0.000	-0.685
C3	0.000	0.000	1.895
C4	0.000	0.000	-1.895
F5	0.000	0.000	3.182
F6	0.000	0.000	-3.182

	C1	C2	C3	C4	F5	F6
C1		1.3710	1.2096	2.5805	2.4966	3.8676
C2	1.3710		2.5805	1.2096	3.8676	2.4966
C3	1.2096	2.5805		3.7901	1.2871	5.0772
C4	2.5805	1.2096	3.7901		5.0772	1.2871
F5	2.4966	3.8676	1.2871	5.0772		6.3643
F6	3.8676	2.4966	5.0772	1.2871	6.3643

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/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	0.601
2	C	0.601
3	C	-0.436
4	C	-0.436
5	F	-0.165
6	F	-0.165

<r²>	249.486
(<r²>)^1/2	15.795

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)