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	hartrees
Energy at 0K	-275.463235
Energy at 298.15K	-275.461792
Nuclear repulsion energy	93.956828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2480	2439	0.00
2	A_g	789	776	0.00
3	A_g	126	124	0.00
4	A_u	269	265	0.01
5	B_u	1362	1340	281.80
6	B_u	271	267	1.18

Atom	x (Å)	y (Å)
C1	-0.043	0.603
C2	0.043	-0.603
F3	0.043	1.897
F4	-0.043	-1.897

	C1	C2	F3	F4
C1		1.2082	1.2978	2.5000
C2	1.2082		2.5000	1.2978
F3	1.2978	2.5000		3.7959
F4	2.5000	1.2978	3.7959

Number	Element	Mulliken
1	C	0.157
2	C	0.157
3	F	-0.157
4	F	-0.157

All results from a given calculation for C₂F₂ (difluoroacetylene)

using model chemistry: PBEPBEultrafine/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	1.515	-0.183	0.000
y	-0.183	4.841	0.000
z	0.000	0.000	1.496

<r²>	81.470
(<r²>)^1/2	9.026

All results from a given calculation for C2F2 (difluoroacetylene)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for C₂F₂ (difluoroacetylene)