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	hartrees
Energy at 0K	-351.605413
Energy at 298.15K
HF Energy	-351.317152
Nuclear repulsion energy	165.304486

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	2465	2465	0.00	460.48	0.32	0.49
2	Σ_g	1453	1453	0.00	44.47	0.33	0.49
3	Σ_g	564	564	0.00	7.19	0.23	0.38
4	Σ_u	2363	2363	337.93	0.00	0.00	0.00
5	Σ_u	1093	1093	283.61	0.00	0.00	0.00
6	Π_g	511	511	0.00	27.12	0.75	0.86
6	Π_g	511	511	0.00	27.12	0.75	0.86
7	Π_g	296	296	0.00	15.79	0.75	0.86
7	Π_g	296	296	0.00	15.79	0.75	0.86
8	Π_u	347	347	1.41	0.00	0.00	0.00
8	Π_u	347	347	1.41	0.00	0.00	0.00
9	Π_u	119	119	0.18	0.00	0.00	0.00
9	Π_u	119	119	0.18	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.685
C2	0.000	0.000	-0.685
C3	0.000	0.000	1.894
C4	0.000	0.000	-1.894
F5	0.000	0.000	3.181
F6	0.000	0.000	-3.181

	C1	C2	C3	C4	F5	F6
C1		1.3705	1.2092	2.5796	2.4958	3.8663
C2	1.3705		2.5796	1.2092	3.8663	2.4958
C3	1.2092	2.5796		3.7888	1.2867	5.0755
C4	2.5796	1.2092	3.7888		5.0755	1.2867
F5	2.4958	3.8663	1.2867	5.0755		6.3621
F6	3.8663	2.4958	5.0755	1.2867	6.3621

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/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: B2PLYP=FULL/6-31G**

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)