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	hartrees
Energy at 0K	-69.829087
Energy at 298.15K
HF Energy	-69.293277
Nuclear repulsion energy	77.616044

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	2333	2254	0.00	364.48	0.32	0.49
2	Σ_g	1307	1263	0.00	30.07	0.33	0.50
3	Σ_g	504	487	0.00	6.18	0.25	0.40
4	Σ_u	2184	2110	162.52	0.00	0.00	0.00
5	Σ_u	936	904	171.49	0.00	0.00	0.00
6	Π_g	217	210	0.00	8.33	0.75	0.86
6	Π_g	217	210	0.00	8.33	0.75	0.86
7	Π_g	327i	316i	0.00	55.13	0.75	0.86
7	Π_g	327i	316i	0.00	55.13	0.75	0.86
8	Π_u	183	177	1.75	0.00	0.75	0.86
8	Π_u	183	177	1.75	0.00	0.75	0.86
9	Π_u	100	97	0.12	0.00	0.75	0.00
9	Π_u	100	97	0.12	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.711
C2	0.000	0.000	-0.711
C3	0.000	0.000	1.981
C4	0.000	0.000	-1.981
F5	0.000	0.000	3.338
F6	0.000	0.000	-3.338

	C1	C2	C3	C4	F5	F6
C1		1.4228	1.2699	2.6927	2.6263	4.0491
C2	1.4228		2.6927	1.2699	4.0491	2.6263
C3	1.2699	2.6927		3.9626	1.3564	5.3190
C4	2.6927	1.2699	3.9626		5.3190	1.3564
F5	2.6263	4.0491	1.3564	5.3190		6.6754
F6	4.0491	2.6263	5.3190	1.3564	6.6754

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/CEP-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/CEP-31G

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)