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	hartrees
Energy at 0K	-350.294781
Energy at 298.15K
HF Energy	-350.294781
Nuclear repulsion energy	168.542881

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	2700	2447	0.00	555.05	0.22	0.37
2	Σ_g	1519	1377	0.00	37.62	0.40	0.58
3	Σ_g	589	534	0.00	4.99	0.12	0.22
4	Σ_u	2576	2335	454.45	0.00	0.00	0.00
5	Σ_u	1185	1074	355.97	0.00	0.00	0.00
6	Π_g	590	535	0.00	37.33	0.75	0.86
6	Π_g	590	535	0.00	37.33	0.75	0.86
7	Π_g	367	333	0.00	2.99	0.75	0.86
7	Π_g	367	333	0.00	2.99	0.75	0.86
8	Π_u	515	467	3.97	0.00	0.00	0.00
8	Π_u	515	467	3.97	0.00	0.00	0.00
9	Π_u	123	111	0.42	0.00	0.00	0.00
9	Π_u	123	111	0.42	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	1.867
C4	0.000	0.000	-1.867
F5	0.000	0.000	3.122
F6	0.000	0.000	-3.122

	C1	C2	C3	C4	F5	F6
C1		1.3873	1.1730	2.5603	2.4286	3.8159
C2	1.3873		2.5603	1.1730	3.8159	2.4286
C3	1.1730	2.5603		3.7333	1.2556	4.9889
C4	2.5603	1.1730	3.7333		4.9889	1.2556
F5	2.4286	3.8159	1.2556	4.9889		6.2445
F6	3.8159	2.4286	4.9889	1.2556	6.2445

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/Def2TZVPP

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	-0.278
2	C	-0.278
3	C	0.481
4	C	0.481
5	F	-0.203
6	F	-0.203

<r²>	242.274
(<r²>)^1/2	15.565

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)