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	hartrees
Energy at 0K	-346.708503
Energy at 298.15K
HF Energy	-346.588636
Nuclear repulsion energy	162.218592

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	2574	2574	0.00	323.81	0.33	0.50
2	Σ_g	1463	1463	0.00	43.21	0.33	0.49
3	Σ_g	558	558	0.00	1.83	0.23	0.37
4	Σ_u	2477	2477	221.82	0.00	0.00	0.00
5	Σ_u	1109	1109	60.32	0.00	0.00	0.00
6	Π_g	439	439	0.00	14.09	0.75	0.86
6	Π_g	439	439	0.00	14.09	0.75	0.86
7	Π_g	287	287	0.00	4.31	0.75	0.86
7	Π_g	287	287	0.00	4.31	0.75	0.86
8	Π_u	322	322	2.12	0.00	0.00	0.00
8	Π_u	322	322	2.12	0.00	0.00	0.00
9	Π_u	109	109	0.36	0.00	0.00	0.00
9	Π_u	109	109	0.36	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.698
C2	0.000	0.000	-0.698
C3	0.000	0.000	1.915
C4	0.000	0.000	-1.915
F5	0.000	0.000	3.242
F6	0.000	0.000	-3.242

	C1	C2	C3	C4	F5	F6
C1		1.3953	1.2176	2.6129	2.5447	3.9400
C2	1.3953		2.6129	1.2176	3.9400	2.5447
C3	1.2176	2.6129		3.8305	1.3271	5.1576
C4	2.6129	1.2176	3.8305		5.1576	1.3271
F5	2.5447	3.9400	1.3271	5.1576		6.4848
F6	3.9400	2.5447	5.1576	1.3271	6.4848

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: B2PLYP=FULL/STO-3G

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: B2PLYP=FULL/STO-3G

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)