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	hartrees
Energy at 0K	-350.094688
Energy at 298.15K
HF Energy	-350.094688
Nuclear repulsion energy	165.461061

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	2726	2455	0.00	491.46	0.25	0.40
2	Σ_g	1469	1323	0.00	37.93	0.36	0.53
3	Σ_g	573	516	0.00	9.05	0.22	0.36
4	Σ_u	2567	2311	238.58	0.00	0.00	0.00
5	Σ_u	1093	984	232.06	0.00	0.00	0.00
6	Π_g	660	594	0.00	68.80	0.75	0.86
6	Π_g	660	594	0.00	68.80	0.75	0.86
7	Π_g	358	322	0.00	4.85	0.75	0.86
7	Π_g	358	322	0.00	4.85	0.75	0.86
8	Π_u	515	463	9.57	0.00	0.00	0.00
8	Π_u	515	463	9.57	0.00	0.00	0.00
9	Π_u	129	116	0.05	0.00	0.00	0.00
9	Π_u	129	116	0.05	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.693
C2	0.000	0.000	-0.693
C3	0.000	0.000	1.878
C4	0.000	0.000	-1.878
F5	0.000	0.000	3.180
F6	0.000	0.000	-3.180

	C1	C2	C3	C4	F5	F6
C1		1.3857	1.1856	2.5713	2.4871	3.8727
C2	1.3857		2.5713	1.1856	3.8727	2.4871
C3	1.1856	2.5713		3.7570	1.3014	5.0584
C4	2.5713	1.1856	3.7570		5.0584	1.3014
F5	2.4871	3.8727	1.3014	5.0584		6.3598
F6	3.8727	2.4871	5.0584	1.3014	6.3598

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/SDD

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	-0.172
2	C	-0.172
3	C	0.420
4	C	0.420
5	F	-0.248
6	F	-0.248

<r²>	251.105
(<r²>)^1/2	15.846

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)