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	hartrees
Energy at 0K	-351.369825
Energy at 298.15K
HF Energy	-350.290556
Nuclear repulsion energy	166.003147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2506	2506	0.00
2	Σ_g	1439	1439	0.00
3	Σ_g	556	556	0.00
4	Σ_u	2381	2381	353.25
5	Σ_u	1096	1096	287.87
6	Π_g	426	426	0.00
6	Π_g	426	426	0.00
7	Π_g	314	314	0.00
7	Π_g	314	314	0.00
8	Π_u	377	377	1.73
8	Π_u	377	377	1.73
9	Π_u	110	110	0.39
9	Π_u	110	110	0.39

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	1.891
C4	0.000	0.000	-1.891
F5	0.000	0.000	3.169
F6	0.000	0.000	-3.169

	C1	C2	C3	C4	F5	F6
C1		1.3840	1.1992	2.5832	2.4766	3.8606
C2	1.3840		2.5832	1.1992	3.8606	2.4766
C3	1.1992	2.5832		3.7823	1.2774	5.0597
C4	2.5832	1.1992	3.7823		5.0597	1.2774
F5	2.4766	3.8606	1.2774	5.0597		6.3372
F6	3.8606	2.4766	5.0597	1.2774	6.3372

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: QCISD/Def2TZVPP

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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All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: QCISD/Def2TZVPP

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)