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	hartrees
Energy at 0K	-351.494570
Energy at 298.15K	-351.488012
HF Energy	-350.138129
Nuclear repulsion energy	167.578041

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	2724	2724	0.00	468.60	0.30	0.47
2	Σ_g	1516	1516	0.00	31.22	0.35	0.52
3	Σ_g	591	591	0.00	4.32	0.20	0.33
4	Σ_u	2598	2598	415.30	0.00	0.00	0.00
5	Σ_u	1171	1171	354.10	0.00	0.00	0.00
6	Π_g	592	592	0.00	43.63	0.75	0.86
6	Π_g	592	592	0.00	43.63	0.75	0.86
7	Π_g	378	378	0.00	3.71	0.75	0.86
7	Π_g	378	378	0.00	3.71	0.75	0.86
8	Π_u	507	507	7.17	0.00	0.00	0.00
8	Π_u	507	507	7.17	0.00	0.00	0.00
9	Π_u	127	127	0.03	0.00	0.00	0.00
9	Π_u	127	127	0.03	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.695
C2	0.000	0.000	-0.695
C3	0.000	0.000	1.876
C4	0.000	0.000	-1.876
F5	0.000	0.000	3.140
F6	0.000	0.000	-3.140

	C1	C2	C3	C4	F5	F6
C1		1.3904	1.1807	2.5711	2.4448	3.8352
C2	1.3904		2.5711	1.1807	3.8352	2.4448
C3	1.1807	2.5711		3.7518	1.2641	5.0159
C4	2.5711	1.1807	3.7518		5.0159	1.2641
F5	2.4448	3.8352	1.2641	5.0159		6.2799
F6	3.8352	2.4448	5.0159	1.2641	6.2799

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: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)