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	hartrees
Energy at 0K	-351.474837
Energy at 298.15K
HF Energy	-351.474837
Nuclear repulsion energy	164.154424

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	2520	2411	0.00	505.97	0.32	0.48
2	Σ_g	1431	1369	0.00	30.42	0.33	0.49
3	Σ_g	560	536	0.00	10.35	0.25	0.40
4	Σ_u	2395	2291	208.12	0.00	0.00	0.00
5	Σ_u	1047	1002	222.87	0.00	0.00	0.00
6	Π_g	328	314	0.00	3.72	0.75	0.86
6	Π_g	328	314	0.00	3.72	0.75	0.86
7	Π_g	176	168	0.00	53.73	0.75	0.86
7	Π_g	176	168	0.00	53.73	0.75	0.86
8	Π_u	266	254	0.66	0.00	0.00	0.00
8	Π_u	266	254	0.66	0.00	0.00	0.00
9	Π_u	96	92	0.00	0.00	0.00	0.00
9	Π_u	96	92	0.00	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	1.889
C4	0.000	0.000	-1.889
F5	0.000	0.000	3.204
F6	0.000	0.000	-3.204

	C1	C2	C3	C4	F5	F6
C1		1.3625	1.2079	2.5704	2.5223	3.8848
C2	1.3625		2.5704	1.2079	3.8848	2.5223
C3	1.2079	2.5704		3.7783	1.3144	5.0926
C4	2.5704	1.2079	3.7783		5.0926	1.3144
F5	2.5223	3.8848	1.3144	5.0926		6.4070
F6	3.8848	2.5223	5.0926	1.3144	6.4070

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: HSEh1PBE/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	0.600
2	C	0.600
3	C	-0.356
4	C	-0.356
5	F	-0.243
6	F	-0.243

<r²>	252.638
(<r²>)^1/2	15.895

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: HSEh1PBE/6-31G

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)