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	hartrees
Energy at 0K	-275.736717
Energy at 298.15K	-275.735304
Nuclear repulsion energy	94.540440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2577	2469	0.00
2	Σ_g	802	768	0.00
3	Σ_u	1382	1324	293.83
4	Π_g	202	194	0.00
4	Π_g	202	194	0.00
5	Π_u	279	268	0.17
5	Π_u	279	268	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.596
C2	0.000	0.000	-0.596
F3	0.000	0.000	1.889
F4	0.000	0.000	-1.889

	C1	C2	F3	F4
C1		1.1925	1.2924	2.4850
C2	1.1925		2.4850	1.2924
F3	1.2924	2.4850		3.7774
F4	2.4850	1.2924	3.7774

Number	Element	Mulliken
1	C	0.185
2	C	0.185
3	F	-0.185
4	F	-0.185

All results from a given calculation for C₂F₂ (difluoroacetylene)

using model chemistry: B3LYPultrafine/6-31G*

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>	80.830
(<r²>)^1/2	8.991

All results from a given calculation for C2F2 (difluoroacetylene)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for C₂F₂ (difluoroacetylene)