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	hartrees
Energy at 0K	-350.236058
Energy at 298.15K
HF Energy	-350.236058
Nuclear repulsion energy	168.367222

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	2716	2456	0.00	496.73	0.29	0.45
2	Σ_g	1518	1373	0.00	32.45	0.35	0.52
3	Σ_g	588	532	0.00	4.42	0.19	0.32
4	Σ_u	2588	2340	458.40	0.00	0.00	0.00
5	Σ_u	1174	1062	375.25	0.00	0.00	0.00
6	Π_g	526	476	0.00	52.22	0.75	0.86
6	Π_g	526	476	0.00	52.22	0.75	0.86
7	Π_g	369	334	0.00	0.56	0.75	0.86
7	Π_g	369	334	0.00	0.56	0.75	0.86
8	Π_u	512	463	9.09	0.00	0.00	0.00
8	Π_u	512	463	9.09	0.00	0.00	0.00
9	Π_u	122	110	0.29	0.00	0.00	0.00
9	Π_u	122	110	0.29	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.693
C2	0.000	0.000	-0.693
C3	0.000	0.000	1.868
C4	0.000	0.000	-1.868
F5	0.000	0.000	3.125
F6	0.000	0.000	-3.125

	C1	C2	C3	C4	F5	F6
C1		1.3867	1.1745	2.5613	2.4320	3.8188
C2	1.3867		2.5613	1.1745	3.8188	2.4320
C3	1.1745	2.5613		3.7358	1.2575	4.9933
C4	2.5613	1.1745	3.7358		4.9933	1.2575
F5	2.4320	3.8188	1.2575	4.9933		6.2508
F6	3.8188	2.4320	4.9933	1.2575	6.2508

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/6-311G*

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	-0.037
2	C	-0.037
3	C	0.230
4	C	0.230
5	F	-0.193
6	F	-0.193

<r²>	242.795
(<r²>)^1/2	15.582

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)