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	hartrees
Energy at 0K	-351.776230
Energy at 298.15K
HF Energy	-351.776230
Nuclear repulsion energy	165.894690

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	2555	2428	0.00	492.72	0.32	0.48
2	Σ_g	1478	1404	0.00	37.49	0.33	0.50
3	Σ_g	574	545	0.00	6.01	0.22	0.37
4	Σ_u	2447	2326	368.61	0.00	0.00	0.00
5	Σ_u	1128	1072	313.77	0.00	0.00	0.00
6	Π_g	587	558	0.00	33.48	0.75	0.86
6	Π_g	587	558	0.00	33.48	0.75	0.86
7	Π_g	333	316	0.00	10.04	0.75	0.86
7	Π_g	333	316	0.00	10.04	0.75	0.86
8	Π_u	414	393	3.39	0.00	0.00	0.00
8	Π_u	414	393	3.39	0.00	0.00	0.00
9	Π_u	121	115	0.18	0.00	0.00	0.00
9	Π_u	121	115	0.18	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	1.890
C4	0.000	0.000	-1.890
F5	0.000	0.000	3.170
F6	0.000	0.000	-3.170

	C1	C2	C3	C4	F5	F6
C1		1.3791	1.2009	2.5799	2.4809	3.8599
C2	1.3791		2.5799	1.2009	3.8599	2.4809
C3	1.2009	2.5799		3.7808	1.2800	5.0608
C4	2.5799	1.2009	3.7808		5.0608	1.2800
F5	2.4809	3.8599	1.2800	5.0608		6.3408
F6	3.8599	2.4809	5.0608	1.2800	6.3408

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: M06-2X/6-31G**

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	0.766
2	C	0.766
3	C	-0.596
4	C	-0.596
5	F	-0.170
6	F	-0.170

<r²>	247.980
(<r²>)^1/2	15.747

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: M06-2X/6-31G**

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)