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	hartrees
Energy at 0K	-70.733169
Energy at 298.15K
HF Energy	-70.733169
Nuclear repulsion energy	80.149943

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	2497	2412	0.00	612.61	0.31	0.48
2	Σ_g	1436	1387	0.00	47.71	0.34	0.51
3	Σ_g	556	537	0.00	10.41	0.27	0.43
4	Σ_u	2384	2302	375.95	0.00	0.00	0.00
5	Σ_u	1068	1031	352.91	0.00	0.00	0.00
6	Π_g	591	571	0.00	36.78	0.75	0.86
6	Π_g	591	571	0.00	36.78	0.75	0.86
7	Π_g	258	249	0.00	32.81	0.75	0.86
7	Π_g	258	249	0.00	32.81	0.75	0.86
8	Π_u	286	276	0.27	0.00	0.00	0.00
8	Π_u	286	276	0.27	0.00	0.00	0.00
9	Π_u	127	122	0.40	0.00	0.00	0.00
9	Π_u	127	122	0.40	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.698
C2	0.000	0.000	-0.698
C3	0.000	0.000	1.941
C4	0.000	0.000	-1.941
F5	0.000	0.000	3.234
F6	0.000	0.000	-3.234

	C1	C2	C3	C4	F5	F6
C1		1.3962	1.2429	2.6391	2.5364	3.9326
C2	1.3962		2.6391	1.2429	3.9326	2.5364
C3	1.2429	2.6391		3.8820	1.2935	5.1754
C4	2.6391	1.2429	3.8820		5.1754	1.2935
F5	2.5364	3.9326	1.2935	5.1754		6.4689
F6	3.9326	2.5364	5.1754	1.2935	6.4689

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/CEP-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	2.281
2	C	2.281
3	C	-2.285
4	C	-2.285
5	F	0.004
6	F	0.004

<r²>	199.365
(<r²>)^1/2	14.120

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)