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	hartrees
Energy at 0K	-347.209851
Energy at 298.15K
HF Energy	-347.209851
Nuclear repulsion energy	162.533805

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	2578	2578	0.00	305.18	0.33	0.50
2	Σ_g	1487	1487	0.00	43.61	0.32	0.49
3	Σ_g	569	569	0.00	5.06	0.27	0.42
4	Σ_u	2497	2497	248.48	0.00	0.00	0.00
5	Σ_u	1118	1118	67.57	0.00	0.00	0.00
6	Π_g	406	406	0.00	9.70	0.75	0.86
6	Π_g	406	406	0.00	9.70	0.75	0.86
7	Π_g	256	256	0.00	9.09	0.75	0.86
7	Π_g	256	256	0.00	9.09	0.75	0.86
8	Π_u	273	273	0.76	0.00	0.00	0.00
8	Π_u	273	273	0.76	0.00	0.00	0.00
9	Π_u	109	109	0.90	0.00	0.00	0.00
9	Π_u	109	109	0.90	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.690
C2	0.000	0.000	-0.690
C3	0.000	0.000	1.910
C4	0.000	0.000	-1.910
F5	0.000	0.000	3.235
F6	0.000	0.000	-3.235

	C1	C2	C3	C4	F5	F6
C1		1.3796	1.2201	2.5997	2.5457	3.9253
C2	1.3796		2.5997	1.2201	3.9253	2.5457
C3	1.2201	2.5997		3.8198	1.3256	5.1454
C4	2.5997	1.2201	3.8198		5.1454	1.3256
F5	2.5457	3.9253	1.3256	5.1454		6.4710
F6	3.9253	2.5457	5.1454	1.3256	6.4710

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: TPSSh/STO-3G

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	-0.059
2	C	-0.059
3	C	0.045
4	C	0.045
5	F	0.014
6	F	0.014

<r²>	253.783
(<r²>)^1/2	15.931

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: TPSSh/STO-3G

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)