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	hartrees
Energy at 0K	-351.101655
Energy at 298.15K
HF Energy	-350.172837
Nuclear repulsion energy	163.671553

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	2386	2312	0.00	529.83	0.23	0.38
2	Σ_g	1414	1370	0.00	43.34	0.43	0.60
3	Σ_g	545	529	0.00	7.46	0.12	0.22
4	Σ_u	2268	2198	356.87	0.00	0.00	0.00
5	Σ_u	1043	1011	289.34	0.00	0.00	0.00
6	Π_g	308	298	0.00	13.11	0.75	0.86
6	Π_g	308	298	0.00	13.11	0.75	0.86
7	Π_g	184i	178i	0.00	11.95	0.75	0.86
7	Π_g	184i	178i	0.00	11.95	0.75	0.86
8	Π_u	354	343	0.79	0.00	0.75	0.86
8	Π_u	354	343	0.79	0.00	0.75	0.86
9	Π_u	90	87	0.39	0.00	0.75	0.86
9	Π_u	90	87	0.39	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.691
C2	0.000	0.000	-0.691
C3	0.000	0.000	1.919
C4	0.000	0.000	-1.919
F5	0.000	0.000	3.212
F6	0.000	0.000	-3.212

	C1	C2	C3	C4	F5	F6
C1		1.3817	1.2279	2.6096	2.5216	3.9034
C2	1.3817		2.6096	1.2279	3.9034	2.5216
C3	1.2279	2.6096		3.8375	1.2937	5.1313
C4	2.6096	1.2279	3.8375		5.1313	1.2937
F5	2.5216	3.9034	1.2937	5.1313		6.4250
F6	3.9034	2.5216	5.1313	1.2937	6.4250

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/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)