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	hartrees
Energy at 0K	-345.817813
Energy at 298.15K
HF Energy	-345.483404
Nuclear repulsion energy	161.122017

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	2536	2255	0.00	202.46	0.33	0.50
2	Σ_g	1444	1283	0.00	22.75	0.33	0.50
3	Σ_g	543	482	0.00	0.52	0.16	0.28
4	Σ_u	2407	2140	147.90	0.00	0.00	0.00
5	Σ_u	1089	968	43.32	0.00	0.00	0.00
6	Π_g	442	393	0.00	11.93	0.75	0.86
6	Π_g	442	393	0.00	11.93	0.75	0.86
7	Π_g	291	259	0.00	2.14	0.75	0.86
7	Π_g	291	259	0.00	2.14	0.75	0.86
8	Π_u	331	294	3.19	0.00	0.00	0.00
8	Π_u	331	294	3.19	0.00	0.00	0.00
9	Π_u	106	94	0.11	0.00	0.00	0.00
9	Π_u	106	94	0.11	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.707
C2	0.000	0.000	-0.707
C3	0.000	0.000	1.932
C4	0.000	0.000	-1.932
F5	0.000	0.000	3.265
F6	0.000	0.000	-3.265

	C1	C2	C3	C4	F5	F6
C1		1.4137	1.2251	2.6388	2.5579	3.9716
C2	1.4137		2.6388	1.2251	3.9716	2.5579
C3	1.2251	2.6388		3.8639	1.3328	5.1967
C4	2.6388	1.2251	3.8639		5.1967	1.3328
F5	2.5579	3.9716	1.3328	5.1967		6.5294
F6	3.9716	2.5579	5.1967	1.3328	6.5294

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/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: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)