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	hartrees
Energy at 0K	-275.550427
Energy at 298.15K	-275.549137
Nuclear repulsion energy	94.427823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2493	2467	0.00
2	Σ_g	776	768	0.00
3	Σ_u	1342	1328	322.39
4	Π_g	247	244	0.00
4	Π_g	247	244	0.00
5	Π_u	279	276	0.00
5	Π_u	279	276	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.599
C2	0.000	0.000	-0.599
F3	0.000	0.000	1.891
F4	0.000	0.000	-1.891

	C1	C2	F3	F4
C1		1.1979	1.2920	2.4898
C2	1.1979		2.4898	1.2920
F3	1.2920	2.4898		3.7818
F4	2.4898	1.2920	3.7818

Number	Element	Mulliken
1	C	0.109
2	C	0.109
3	F	-0.109
4	F	-0.109

All results from a given calculation for C₂F₂ (difluoroacetylene)

using model chemistry: PBEPBE/6-311G*

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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<r²>	81.306
(<r²>)^1/2	9.017

All results from a given calculation for C2F2 (difluoroacetylene)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for C₂F₂ (difluoroacetylene)