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	hartrees
Energy at 0K	-351.167961
Energy at 298.15K
HF Energy	-350.272608
Nuclear repulsion energy	168.090164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2633	2428	0.00
2	Σ_g	1501	1383	0.00
3	Σ_g	581	535	0.00
4	Σ_u	2507	2311	431.67
5	Σ_u	1158	1067	333.86
6	Π_g	596	549	0.00
6	Π_g	596	549	0.00
7	Π_g	357	329	0.00
7	Π_g	357	329	0.00
8	Π_u	489	451	2.94
8	Π_u	489	451	2.94
9	Π_u	117	108	0.34
9	Π_u	117	108	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.689
C2	0.000	0.000	-0.689
C3	0.000	0.000	1.870
C4	0.000	0.000	-1.870
F5	0.000	0.000	3.130
F6	0.000	0.000	-3.130

	C1	C2	C3	C4	F5	F6
C1		1.3786	1.1810	2.5596	2.4406	3.8192
C2	1.3786		2.5596	1.1810	3.8192	2.4406
C3	1.1810	2.5596		3.7406	1.2596	5.0002
C4	2.5596	1.1810	3.7406		5.0002	1.2596
F5	2.4406	3.8192	1.2596	5.0002		6.2598
F6	3.8192	2.4406	5.0002	1.2596	6.2598

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: CISD/6-311+G(3df,2p)

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: CISD/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)