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	hartrees
Energy at 0K	-351.534142
Energy at 298.15K
HF Energy	-351.534142
Nuclear repulsion energy	164.701903

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	2410	2371	0.00	460.41	0.32	0.48
2	Σ_g	1446	1422	0.00	39.42	0.32	0.48
3	Σ_g	562	552	0.00	12.64	0.25	0.40
4	Σ_u	2317	2278	328.49	0.00	0.00	0.00
5	Σ_u	1079	1061	299.11	0.00	0.00	0.00
6	Π_g	457	449	0.00	17.51	0.75	0.86
6	Π_g	457	449	0.00	17.51	0.75	0.86
7	Π_g	249	245	0.00	25.94	0.75	0.86
7	Π_g	249	245	0.00	25.94	0.75	0.86
8	Π_u	278	273	0.17	0.00	0.00	0.00
8	Π_u	278	273	0.17	0.00	0.00	0.00
9	Π_u	116	115	0.51	0.00	0.00	0.00
9	Π_u	116	115	0.51	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	1.903
C4	0.000	0.000	-1.903
F5	0.000	0.000	3.192
F6	0.000	0.000	-3.192

	C1	C2	C3	C4	F5	F6
C1		1.3643	1.2208	2.5851	2.5100	3.8743
C2	1.3643		2.5851	1.2208	3.8743	2.5100
C3	1.2208	2.5851		3.8059	1.2892	5.0950
C4	2.5851	1.2208	3.8059		5.0950	1.2892
F5	2.5100	3.8743	1.2892	5.0950		6.3842
F6	3.8743	2.5100	5.0950	1.2892	6.3842

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: 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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Number	Element	Mulliken
1	C	0.665
2	C	0.665
3	C	-0.537
4	C	-0.537
5	F	-0.128
6	F	-0.128

<r²>	250.436
(<r²>)^1/2	15.825

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)