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	hartrees
Energy at 0K	-351.920032
Energy at 298.15K
HF Energy	-351.920032
Nuclear repulsion energy	165.440556

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	2471	2383	0.00	626.51	0.26	0.41
2	Σ_g	1440	1389	0.00	48.27	0.41	0.58
3	Σ_g	564	544	0.00	10.03	0.19	0.32
4	Σ_u	2373	2288	370.97	0.00	0.00	0.00
5	Σ_u	1082	1043	353.89	0.00	0.00	0.00
6	Π_g	707	682	0.00	31.08	0.75	0.86
6	Π_g	707	682	0.00	31.08	0.75	0.86
7	Π_g	307	296	0.00	16.50	0.75	0.86
7	Π_g	307	296	0.00	16.50	0.75	0.86
8	Π_u	407	393	1.14	0.00	0.00	0.00
8	Π_u	407	393	1.14	0.00	0.00	0.00
9	Π_u	124	119	0.35	0.00	0.00	0.00
9	Π_u	124	119	0.35	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.685
C2	0.000	0.000	-0.685
C3	0.000	0.000	1.892
C4	0.000	0.000	-1.892
F5	0.000	0.000	3.179
F6	0.000	0.000	-3.179

	C1	C2	C3	C4	F5	F6
C1		1.3700	1.2071	2.5770	2.4935	3.8635
C2	1.3700		2.5770	1.2071	3.8635	2.4935
C3	1.2071	2.5770		3.7841	1.2865	5.0706
C4	2.5770	1.2071	3.7841		5.0706	1.2865
F5	2.4935	3.8635	1.2865	5.0706		6.3570
F6	3.8635	2.4935	5.0706	1.2865	6.3570

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: B3LYP/6-31+G**

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	1.128
2	C	1.128
3	C	-0.724
4	C	-0.724
5	F	-0.404
6	F	-0.404

<r²>	249.831
(<r²>)^1/2	15.806

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)