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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	2300	0.00	375.60	0.33	0.49
2	Σ_g	1450	1366	0.00	37.65	0.33	0.49
3	Σ_g	558	526	0.00	4.70	0.22	0.36
4	Σ_u	2328	2193	318.51	0.00	0.00	0.00
5	Σ_u	1083	1020	256.91	0.00	0.00	0.00
6	Π_g	542	511	0.00	26.48	0.75	0.86
6	Π_g	542	511	0.00	26.48	0.75	0.86
7	Π_g	306	289	0.00	11.00	0.75	0.86
7	Π_g	306	289	0.00	11.00	0.75	0.86
8	Π_u	364	343	2.19	0.00	0.00	0.00
8	Π_u	364	343	2.19	0.00	0.00	0.00
9	Π_u	119	112	0.11	0.00	0.00	0.00
9	Π_u	119	112	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)