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	hartrees
Energy at 0K	-347.028917
Energy at 298.15K
HF Energy	-347.028917
Nuclear repulsion energy	161.780468

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	2509	2509	0.00	277.53	0.33	0.50
2	Σ_g	1467	1467	0.00	45.65	0.32	0.48
3	Σ_g	561	561	0.00	6.86	0.27	0.43
4	Σ_u	2433	2433	241.23	0.00	0.00	0.00
5	Σ_u	1097	1097	63.99	0.00	0.00	0.00
6	Π_g	376	376	0.00	6.34	0.75	0.86
6	Π_g	376	376	0.00	6.34	0.75	0.86
7	Π_g	210	210	0.00	11.94	0.75	0.86
7	Π_g	210	210	0.00	11.94	0.75	0.86
8	Π_u	218	218	0.36	0.00	0.00	0.00
8	Π_u	218	218	0.36	0.00	0.00	0.00
9	Π_u	105	105	1.01	0.00	0.00	0.00
9	Π_u	105	105	1.01	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	1.920
C4	0.000	0.000	-1.920
F5	0.000	0.000	3.250
F6	0.000	0.000	-3.250

	C1	C2	C3	C4	F5	F6
C1		1.3796	1.2303	2.6099	2.5603	3.9400
C2	1.3796		2.6099	1.2303	3.9400	2.5603
C3	1.2303	2.6099		3.8402	1.3301	5.1703
C4	2.6099	1.2303	3.8402		5.1703	1.3301
F5	2.5603	3.9400	1.3301	5.1703		6.5003
F6	3.9400	2.5603	5.1703	1.3301	6.5003

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: B97D3/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	-0.061
2	C	-0.061
3	C	0.046
4	C	0.046
5	F	0.015
6	F	0.015

<r²>	255.884
(<r²>)^1/2	15.996

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B97D3/STO-3G

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)