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	hartrees
Energy at 0K	-351.197744
Energy at 298.15K
HF Energy	-350.174031
Nuclear repulsion energy	166.385024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2548	2414	0.00
2	Σ_g	1459	1382	0.00
3	Σ_g	561	531	0.00
4	Σ_u	2423	2296	339.75
5	Σ_u	1116	1057	256.92
6	Π_g	405	384	0.00
6	Π_g	405	384	0.00
7	Π_g	325	308	0.00
7	Π_g	325	308	0.00
8	Π_u	388	367	2.64
8	Π_u	388	367	2.64
9	Π_u	111	105	0.35
9	Π_u	111	105	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.690
C2	0.000	0.000	-0.690
C3	0.000	0.000	1.889
C4	0.000	0.000	-1.889
F5	0.000	0.000	3.161
F6	0.000	0.000	-3.161

	C1	C2	C3	C4	F5	F6
C1		1.3801	1.1985	2.5786	2.4712	3.8512
C2	1.3801		2.5786	1.1985	3.8512	2.4712
C3	1.1985	2.5786		3.7771	1.2726	5.0498
C4	2.5786	1.1985	3.7771		5.0498	1.2726
F5	2.4712	3.8512	1.2726	5.0498		6.3224
F6	3.8512	2.4712	5.0498	1.2726	6.3224

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: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)