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	hartrees
Energy at 0K	-351.626736
Energy at 298.15K
HF Energy	-351.626736
Nuclear repulsion energy	166.878024

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	2515	2413	0.00	556.69	0.30	0.46
2	Σ_g	1472	1412	0.00	39.05	0.34	0.51
3	Σ_g	571	548	0.00	8.03	0.22	0.36
4	Σ_u	2408	2311	422.61	0.00	0.00	0.00
5	Σ_u	1110	1065	360.29	0.00	0.00	0.00
6	Π_g	392	376	0.00	34.60	0.75	0.86
6	Π_g	392	376	0.00	34.60	0.75	0.86
7	Π_g	330	317	0.00	10.61	0.75	0.86
7	Π_g	330	317	0.00	10.61	0.75	0.86
8	Π_u	390	374	2.45	0.00	0.00	0.00
8	Π_u	390	374	2.45	0.00	0.00	0.00
9	Π_u	112	107	0.65	0.00	0.00	0.00
9	Π_u	112	107	0.65	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.683
C2	0.000	0.000	-0.683
C3	0.000	0.000	1.882
C4	0.000	0.000	-1.882
F5	0.000	0.000	3.151
F6	0.000	0.000	-3.151

	C1	C2	C3	C4	F5	F6
C1		1.3651	1.1992	2.5643	2.4687	3.8338
C2	1.3651		2.5643	1.1992	3.8338	2.4687
C3	1.1992	2.5643		3.7635	1.2695	5.0330
C4	2.5643	1.1992	3.7635		5.0330	1.2695
F5	2.4687	3.8338	1.2695	5.0330		6.3026
F6	3.8338	2.4687	5.0330	1.2695	6.3026

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: PBE1PBE/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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Number	Element	Mulliken
1	C	-0.001
2	C	-0.001
3	C	0.109
4	C	0.109
5	F	-0.108
6	F	-0.108

<r²>	245.547
(<r²>)^1/2	15.670

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: PBE1PBE/6-311G**

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)