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	hartrees
Energy at 0K	-69.353857
Energy at 298.15K
HF Energy	-69.353857
Nuclear repulsion energy	81.248363

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	2684	2449	0.00	486.25	0.26	0.41
2	Σ_g	1451	1324	0.00	40.54	0.36	0.53
3	Σ_g	565	516	0.00	8.90	0.19	0.32
4	Σ_u	2531	2310	229.66	0.00	0.00	0.00
5	Σ_u	1089	994	217.63	0.00	0.00	0.00
6	Π_g	604	551	0.00	81.09	0.75	0.86
6	Π_g	604	551	0.00	81.09	0.75	0.86
7	Π_g	322	294	0.00	1.88	0.75	0.86
7	Π_g	322	294	0.00	1.88	0.75	0.86
8	Π_u	506	462	6.57	0.00	0.00	0.00
8	Π_u	506	462	6.57	0.00	0.00	0.00
9	Π_u	123	112	0.15	0.00	0.00	0.00
9	Π_u	123	112	0.15	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.696
C2	0.000	0.000	-0.696
C3	0.000	0.000	1.883
C4	0.000	0.000	-1.883
F5	0.000	0.000	3.190
F6	0.000	0.000	-3.190

	C1	C2	C3	C4	F5	F6
C1		1.3927	1.1871	2.5798	2.4937	3.8865
C2	1.3927		2.5798	1.1871	3.8865	2.4937
C3	1.1871	2.5798		3.7669	1.3066	5.0735
C4	2.5798	1.1871	3.7669		5.0735	1.3066
F5	2.4937	3.8865	1.3066	5.0735		6.3802
F6	3.8865	2.4937	5.0735	1.3066	6.3802

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: HF/CEP-121G

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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Number	Element	Mulliken
1	C	1.716
2	C	1.716
3	C	-1.558
4	C	-1.558
5	F	-0.158
6	F	-0.158

<r²>	195.559
(<r²>)^1/2	13.984

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)