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	hartrees
Energy at 0K	-346.845640
Energy at 298.15K
HF Energy	-346.845640
Nuclear repulsion energy	163.247249

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	2642	2333	0.00	326.15	0.33	0.50
2	Σ_g	1510	1334	0.00	42.44	0.32	0.49
3	Σ_g	578	511	0.00	3.73	0.26	0.41
4	Σ_u	2554	2255	257.35	0.00	0.00	0.00
5	Σ_u	1140	1007	70.03	0.00	0.00	0.00
6	Π_g	462	408	0.00	14.92	0.75	0.86
6	Π_g	462	408	0.00	14.92	0.75	0.86
7	Π_g	296	261	0.00	4.93	0.75	0.86
7	Π_g	296	261	0.00	4.93	0.75	0.86
8	Π_u	338	299	1.82	0.00	0.00	0.00
8	Π_u	338	299	1.82	0.00	0.00	0.00
9	Π_u	112	99	0.62	0.00	0.00	0.00
9	Π_u	112	99	0.62	0.00	0.00	0.00

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	1.903
C4	0.000	0.000	-1.903
F5	0.000	0.000	3.222
F6	0.000	0.000	-3.222

	C1	C2	C3	C4	F5	F6
C1		1.3800	1.2128	2.5928	2.5316	3.9116
C2	1.3800		2.5928	1.2128	3.9116	2.5316
C3	1.2128	2.5928		3.8056	1.3188	5.1244
C4	2.5928	1.2128	3.8056		5.1244	1.3188
F5	2.5316	3.9116	1.3188	5.1244		6.4432
F6	3.9116	2.5316	5.1244	1.3188	6.4432

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: HSEh1PBE/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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Number	Element	Mulliken
1	C	-0.059
2	C	-0.059
3	C	0.056
4	C	0.056
5	F	0.003
6	F	0.003

<r²>	252.034
(<r²>)^1/2	15.876

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)