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	hartrees
Energy at 0K	-351.241003
Energy at 298.15K
HF Energy	-350.175426
Nuclear repulsion energy	167.081403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2567	2417	0.00
2	Σ_g	1480	1394	0.00
3	Σ_g	567	534	0.00
4	Σ_u	2444	2301	357.87
5	Σ_u	1135	1069	260.72
6	Π_g	657	619	0.00
6	Π_g	657	619	0.00
7	Π_g	361	340	0.00
7	Π_g	361	340	0.00
8	Π_u	496	467	2.97
8	Π_u	496	467	2.97
9	Π_u	117	111	0.30
9	Π_u	117	111	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.688
C2	0.000	0.000	-0.688
C3	0.000	0.000	1.882
C4	0.000	0.000	-1.882
F5	0.000	0.000	3.148
F6	0.000	0.000	-3.148

	C1	C2	C3	C4	F5	F6
C1		1.3760	1.1937	2.5697	2.4601	3.8361
C2	1.3760		2.5697	1.1937	3.8361	2.4601
C3	1.1937	2.5697		3.7634	1.2664	5.0298
C4	2.5697	1.1937	3.7634		5.0298	1.2664
F5	2.4601	3.8361	1.2664	5.0298		6.2962
F6	3.8361	2.4601	5.0298	1.2664	6.2962

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: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)