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	hartrees
Energy at 0K	-70.772559
Energy at 298.15K
HF Energy	-70.772559
Nuclear repulsion energy	81.390409

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	2461	2461	0.00	651.37	0.29	0.45
2	Σ_g	1427	1427	0.00	53.10	0.35	0.51
3	Σ_g	554	554	0.00	7.06	0.19	0.32
4	Σ_u	2353	2353	418.38	0.00	0.00	0.00
5	Σ_u	1090	1090	344.70	0.00	0.00	0.00
6	Π_g	597	597	0.00	45.33	0.75	0.86
6	Π_g	597	597	0.00	45.33	0.75	0.86
7	Π_g	312	312	0.00	15.68	0.75	0.86
7	Π_g	312	312	0.00	15.68	0.75	0.86
8	Π_u	401	401	2.18	0.00	0.00	0.00
8	Π_u	401	401	2.18	0.00	0.00	0.00
9	Π_u	128	128	0.36	0.00	0.00	0.00
9	Π_u	128	128	0.36	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.695
C2	0.000	0.000	-0.695
C3	0.000	0.000	1.899
C4	0.000	0.000	-1.899
F5	0.000	0.000	3.185
F6	0.000	0.000	-3.185

	C1	C2	C3	C4	F5	F6
C1		1.3892	1.2048	2.5940	2.4905	3.8798
C2	1.3892		2.5940	1.2048	3.8798	2.4905
C3	1.2048	2.5940		3.7987	1.2858	5.0845
C4	2.5940	1.2048	3.7987		5.0845	1.2858
F5	2.4905	3.8798	1.2858	5.0845		6.3703
F6	3.8798	2.4905	5.0845	1.2858	6.3703

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: wB97X-D/CEP-121G*

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	1.982
2	C	1.982
3	C	-1.877
4	C	-1.877
5	F	-0.105
6	F	-0.105

<r²>	193.407
(<r²>)^1/2	13.907

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: wB97X-D/CEP-121G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)