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	hartrees
Energy at 0K	-351.877750
Energy at 298.15K
HF Energy	-351.877750
Nuclear repulsion energy	165.625963

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	2411	2398	0.00	472.27	0.31	0.47
2	Σ_g	1430	1422	0.00	44.05	0.32	0.49
3	Σ_g	557	554	0.00	11.54	0.24	0.38
4	Σ_u	2319	2307	343.47	0.00	0.00	0.00
5	Σ_u	1075	1069	284.60	0.00	0.00	0.00
6	Π_g	541	538	0.00	20.95	0.75	0.86
6	Π_g	541	538	0.00	20.95	0.75	0.86
7	Π_g	296	294	0.00	13.40	0.75	0.86
7	Π_g	296	294	0.00	13.40	0.75	0.86
8	Π_u	350	348	0.11	0.00	0.00	0.00
8	Π_u	350	348	0.11	0.00	0.00	0.00
9	Π_u	113	113	0.57	0.00	0.00	0.00
9	Π_u	113	113	0.57	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.679
C2	0.000	0.000	-0.679
C3	0.000	0.000	1.893
C4	0.000	0.000	-1.893
F5	0.000	0.000	3.174
F6	0.000	0.000	-3.174

	C1	C2	C3	C4	F5	F6
C1		1.3590	1.2131	2.5721	2.4949	3.8539
C2	1.3590		2.5721	1.2131	3.8539	2.4949
C3	1.2131	2.5721		3.7852	1.2818	5.0670
C4	2.5721	1.2131	3.7852		5.0670	1.2818
F5	2.4949	3.8539	1.2818	5.0670		6.3488
F6	3.8539	2.4949	5.0670	1.2818	6.3488

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/6-31G(2df,p)

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	-0.441
2	C	-0.441
3	C	0.341
4	C	0.341
5	F	0.100
6	F	0.100

<r²>	248.033
(<r²>)^1/2	15.749

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)