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	hartrees
Energy at 0K	-351.587108
Energy at 298.15K
HF Energy	-351.587108
Nuclear repulsion energy	165.825417

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	2511	2415	0.00	547.64	0.30	0.46
2	Σ_g	1471	1415	0.00	38.07	0.28	0.44
3	Σ_g	573	552	0.00	8.19	0.27	0.43
4	Σ_u	2406	2315	384.49	0.00	0.00	0.00
5	Σ_u	1106	1064	348.81	0.00	0.00	0.00
6	Π_g	479	461	0.00	31.89	0.75	0.86
6	Π_g	479	461	0.00	31.89	0.75	0.86
7	Π_g	319	307	0.00	12.19	0.75	0.86
7	Π_g	319	307	0.00	12.19	0.75	0.86
8	Π_u	383	368	1.76	0.00	0.00	0.00
8	Π_u	383	368	1.76	0.00	0.00	0.00
9	Π_u	115	111	0.63	0.00	0.00	0.00
9	Π_u	115	111	0.63	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	1.895
C4	0.000	0.000	-1.895
F5	0.000	0.000	3.171
F6	0.000	0.000	-3.171

	C1	C2	C3	C4	F5	F6
C1		1.3703	1.2094	2.5797	2.4859	3.8562
C2	1.3703		2.5797	1.2094	3.8562	2.4859
C3	1.2094	2.5797		3.7890	1.2765	5.0656
C4	2.5797	1.2094	3.7890		5.0656	1.2765
F5	2.4859	3.8562	1.2765	5.0656		6.3421
F6	3.8562	2.4859	5.0656	1.2765	6.3421

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: HSEh1PBE/cc-pVDZ

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	0.432
2	C	0.432
3	C	-0.413
4	C	-0.413
5	F	-0.019
6	F	-0.019

<r²>	248.155
(<r²>)^1/2	15.753

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)