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	hartrees
Energy at 0K	-351.701149
Energy at 298.15K
HF Energy	-351.701149
Nuclear repulsion energy	167.011383

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	2494	2399	0.00	654.94	0.22	0.36
2	Σ_g	1466	1410	0.00	49.87	0.44	0.61
3	Σ_g	571	549	0.00	9.98	0.12	0.22
4	Σ_u	2396	2304	424.09	0.00	0.00	0.00
5	Σ_u	1112	1070	358.05	0.00	0.00	0.00
6	Π_g	459	442	0.00	18.55	0.75	0.86
6	Π_g	459	442	0.00	18.55	0.75	0.86
7	Π_g	318	306	0.00	10.64	0.75	0.86
7	Π_g	318	306	0.00	10.64	0.75	0.86
8	Π_u	389	374	0.54	0.00	0.00	0.00
8	Π_u	389	374	0.54	0.00	0.00	0.00
9	Π_u	113	109	0.64	0.00	0.00	0.00
9	Π_u	113	109	0.64	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.682
C2	0.000	0.000	-0.682
C3	0.000	0.000	1.879
C4	0.000	0.000	-1.879
F5	0.000	0.000	3.149
F6	0.000	0.000	-3.149

	C1	C2	C3	C4	F5	F6
C1		1.3644	1.1972	2.5616	2.4666	3.8310
C2	1.3644		2.5616	1.1972	3.8310	2.4666
C3	1.1972	2.5616		3.7588	1.2694	5.0282
C4	2.5616	1.1972	3.7588		5.0282	1.2694
F5	2.4666	3.8310	1.2694	5.0282		6.2976
F6	3.8310	2.4666	5.0282	1.2694	6.2976

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/aug-cc-pVTZ

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	0.685
2	C	0.685
3	C	-0.450
4	C	-0.450
5	F	-0.235
6	F	-0.235

<r²>	245.347
(<r²>)^1/2	15.664

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)