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	hartrees
Energy at 0K	-350.665800
Energy at 298.15K
HF Energy	-350.079721
Nuclear repulsion energy	160.267594

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	2370	2283	0.00	388.56	0.28	0.44
2	Σ_g	1324	1275	0.00	25.52	0.34	0.50
3	Σ_g	510	491	0.00	5.57	0.21	0.35
4	Σ_u	2216	2134	174.47	0.00	0.00	0.00
5	Σ_u	949	914	174.88	0.00	0.00	0.00
6	Π_g	438	422	0.00	35.86	0.75	0.86
6	Π_g	438	422	0.00	35.86	0.75	0.86
7	Π_g	271	261	0.00	11.72	0.75	0.86
7	Π_g	271	261	0.00	11.72	0.75	0.86
8	Π_u	315	303	3.47	0.00	0.00	0.00
8	Π_u	315	303	3.47	0.00	0.00	0.00
9	Π_u	106	103	0.03	0.00	0.00	0.00
9	Π_u	106	103	0.03	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.699
C2	0.000	0.000	-0.699
C3	0.000	0.000	1.934
C4	0.000	0.000	-1.934
F5	0.000	0.000	3.281
F6	0.000	0.000	-3.281

	C1	C2	C3	C4	F5	F6
C1		1.3971	1.2358	2.6329	2.5828	3.9799
C2	1.3971		2.6329	1.2358	3.9799	2.5828
C3	1.2358	2.6329		3.8687	1.3470	5.2157
C4	2.6329	1.2358	3.8687		5.2157	1.3470
F5	2.5828	3.9799	1.3470	5.2157		6.5627
F6	3.9799	2.5828	5.2157	1.3470	6.5627

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/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)