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	hartrees
Energy at 0K	-347.118082
Energy at 298.15K
HF Energy	-347.118082
Nuclear repulsion energy	162.547120

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	2590	2311	0.00	324.74	0.33	0.50
2	Σ_g	1476	1317	0.00	43.02	0.32	0.49
3	Σ_g	566	505	0.00	4.06	0.26	0.41
4	Σ_u	2505	2236	243.88	0.00	0.00	0.00
5	Σ_u	1115	995	68.24	0.00	0.00	0.00
6	Π_g	439	392	0.00	13.70	0.75	0.86
6	Π_g	439	392	0.00	13.70	0.75	0.86
7	Π_g	278	248	0.00	6.09	0.75	0.86
7	Π_g	278	248	0.00	6.09	0.75	0.86
8	Π_u	312	278	1.33	0.00	0.00	0.00
8	Π_u	312	278	1.33	0.00	0.00	0.00
9	Π_u	110	98	0.64	0.00	0.00	0.00
9	Π_u	110	98	0.64	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.692
C2	0.000	0.000	-0.692
C3	0.000	0.000	1.909
C4	0.000	0.000	-1.909
F5	0.000	0.000	3.236
F6	0.000	0.000	-3.236

	C1	C2	C3	C4	F5	F6
C1		1.3847	1.2170	2.6017	2.5432	3.9279
C2	1.3847		2.6017	1.2170	3.9279	2.5432
C3	1.2170	2.6017		3.8187	1.3262	5.1449
C4	2.6017	1.2170	3.8187		5.1449	1.3262
F5	2.5432	3.9279	1.3262	5.1449		6.4711
F6	3.9279	2.5432	5.1449	1.3262	6.4711

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: B3LYP/STO-3G

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	-0.057
2	C	-0.057
3	C	0.052
4	C	0.052
5	F	0.005
6	F	0.005

<r²>	253.972
(<r²>)^1/2	15.937

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)