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	hartrees
Energy at 0K	-351.000711
Energy at 298.15K
HF Energy	-350.136990
Nuclear repulsion energy	164.639252

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	2442	2281	0.00	375.60	0.33	0.49
2	Σ_g	1450	1355	0.00	37.65	0.33	0.49
3	Σ_g	558	521	0.00	4.70	0.22	0.36
4	Σ_u	2328	2175	318.51	0.00	0.00	0.00
5	Σ_u	1083	1012	256.91	0.00	0.00	0.00
6	Π_g	542	506	0.00	26.48	0.75	0.86
6	Π_g	542	506	0.00	26.48	0.75	0.86
7	Π_g	306	286	0.00	11.00	0.75	0.86
7	Π_g	306	286	0.00	11.00	0.75	0.86
8	Π_u	364	340	2.19	0.00	0.00	0.00
8	Π_u	364	340	2.19	0.00	0.00	0.00
9	Π_u	119	111	0.11	0.00	0.00	0.00
9	Π_u	119	111	0.11	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.686
C2	0.000	0.000	-0.686
C3	0.000	0.000	1.901
C4	0.000	0.000	-1.901
F5	0.000	0.000	3.194
F6	0.000	0.000	-3.194

	C1	C2	C3	C4	F5	F6
C1		1.3724	1.2149	2.5874	2.5076	3.8800
C2	1.3724		2.5874	1.2149	3.8800	2.5076
C3	1.2149	2.5874		3.8023	1.2926	5.0949
C4	2.5874	1.2149	3.8023		5.0949	1.2926
F5	2.5076	3.8800	1.2926	5.0949		6.3876
F6	3.8800	2.5076	5.0949	1.2926	6.3876

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: MP2=FULL/6-31G**

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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All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)