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	hartrees
Energy at 0K	-351.860410
Energy at 298.15K
HF Energy	-351.860410
Nuclear repulsion energy	166.663467

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	2492	2400	0.00	556.92	0.30	0.47
2	Σ_g	1458	1405	0.00	39.01	0.34	0.51
3	Σ_g	567	546	0.00	8.53	0.23	0.37
4	Σ_u	2389	2300	411.42	0.00	0.00	0.00
5	Σ_u	1097	1057	359.69	0.00	0.00	0.00
6	Π_g	387	373	0.00	31.67	0.75	0.86
6	Π_g	387	373	0.00	31.67	0.75	0.86
7	Π_g	323	311	0.00	13.68	0.75	0.86
7	Π_g	323	311	0.00	13.68	0.75	0.86
8	Π_u	378	364	2.21	0.00	0.00	0.00
8	Π_u	378	364	2.21	0.00	0.00	0.00
9	Π_u	111	107	0.62	0.00	0.00	0.00
9	Π_u	111	107	0.62	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	1.883
C4	0.000	0.000	-1.883
F5	0.000	0.000	3.155
F6	0.000	0.000	-3.155

	C1	C2	C3	C4	F5	F6
C1		1.3643	1.2006	2.5648	2.4731	3.8374
C2	1.3643		2.5648	1.2006	3.8374	2.4731
C3	1.2006	2.5648		3.7654	1.2725	5.0380
C4	2.5648	1.2006	3.7654		5.0380	1.2725
F5	2.4731	3.8374	1.2725	5.0380		6.3105
F6	3.8374	2.4731	5.0380	1.2725	6.3105

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: B3PW91/6-311G**

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	-0.005
2	C	-0.005
3	C	0.115
4	C	0.115
5	F	-0.110
6	F	-0.110

<r²>	246.040
(<r²>)^1/2	15.686

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B3PW91/6-311G**

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)