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	hartrees
Energy at 0K	-347.027032
Energy at 298.15K
HF Energy	-347.027032
Nuclear repulsion energy	161.191985

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	2466	2282	0.00	273.20	0.33	0.50
2	Σ_g	1442	1335	0.00	44.89	0.32	0.48
3	Σ_g	552	510	0.00	7.20	0.27	0.43
4	Σ_u	2391	2213	226.32	0.00	0.00	0.00
5	Σ_u	1080	1000	61.45	0.00	0.00	0.00
6	Π_g	372	344	0.00	6.30	0.75	0.86
6	Π_g	372	344	0.00	6.30	0.75	0.86
7	Π_g	199	184	0.00	11.46	0.75	0.86
7	Π_g	199	184	0.00	11.46	0.75	0.86
8	Π_u	208	193	0.15	0.00	0.00	0.00
8	Π_u	208	193	0.15	0.00	0.00	0.00
9	Π_u	105	97	1.18	0.00	0.00	0.00
9	Π_u	105	97	1.18	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.692
C2	0.000	0.000	-0.692
C3	0.000	0.000	1.926
C4	0.000	0.000	-1.926
F5	0.000	0.000	3.262
F6	0.000	0.000	-3.262

	C1	C2	C3	C4	F5	F6
C1		1.3831	1.2341	2.6173	2.5705	3.9536
C2	1.3831		2.6173	1.2341	3.9536	2.5705
C3	1.2341	2.6173		3.8514	1.3364	5.1877
C4	2.6173	1.2341	3.8514		5.1877	1.3364
F5	2.5705	3.9536	1.3364	5.1877		6.5241
F6	3.9536	2.5705	5.1877	1.3364	6.5241

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: BLYP/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	-0.061
2	C	-0.061
3	C	0.031
4	C	0.031
5	F	0.030
6	F	0.030

<r²>	257.420
(<r²>)^1/2	16.044

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)