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	hartrees
Energy at 0K	-350.144748
Energy at 298.15K
HF Energy	-350.144748
Nuclear repulsion energy	167.633180

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	2727	2450	0.00	460.07	0.31	0.48
2	Σ_g	1526	1371	0.00	34.41	0.33	0.50
3	Σ_g	593	533	0.00	4.57	0.20	0.34
4	Σ_u	2605	2340	402.32	0.00	0.00	0.00
5	Σ_u	1181	1062	333.76	0.00	0.00	0.00
6	Π_g	610	548	0.00	49.24	0.75	0.86
6	Π_g	610	548	0.00	49.24	0.75	0.86
7	Π_g	376	338	0.00	4.82	0.75	0.86
7	Π_g	376	338	0.00	4.82	0.75	0.86
8	Π_u	499	448	8.57	0.00	0.00	0.00
8	Π_u	499	448	8.57	0.00	0.00	0.00
9	Π_u	127	114	0.08	0.00	0.00	0.00
9	Π_u	127	114	0.08	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.694
C2	0.000	0.000	-0.694
C3	0.000	0.000	1.872
C4	0.000	0.000	-1.872
F5	0.000	0.000	3.139
F6	0.000	0.000	-3.139

	C1	C2	C3	C4	F5	F6
C1		1.3881	1.1781	2.5662	2.4449	3.8330
C2	1.3881		2.5662	1.1781	3.8330	2.4449
C3	1.1781	2.5662		3.7443	1.2668	5.0111
C4	2.5662	1.1781	3.7443		5.0111	1.2668
F5	2.4449	3.8330	1.2668	5.0111		6.2779
F6	3.8330	2.4449	5.0111	1.2668	6.2779

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: HF/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	0.495
2	C	0.495
3	C	-0.268
4	C	-0.268
5	F	-0.227
6	F	-0.227

<r²>	244.154
(<r²>)^1/2	15.625

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)