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	hartrees
Energy at 0K	-351.786857
Energy at 298.15K
HF Energy	-351.786857
Nuclear repulsion energy	165.599389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2492	2405	0.00
2	Σ_g	1461	1410	0.00
3	Σ_g	570	550	0.00
4	Σ_u	2389	2306	374.96
5	Σ_u	1097	1059	345.67
6	Π_g	471	455	0.00
6	Π_g	471	455	0.00
7	Π_g	312	301	0.00
7	Π_g	312	301	0.00
8	Π_u	370	357	1.59
8	Π_u	370	357	1.59
9	Π_u	114	110	0.64
9	Π_u	114	110	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.685
C2	0.000	0.000	-0.685
C3	0.000	0.000	1.896
C4	0.000	0.000	-1.896
F5	0.000	0.000	3.175
F6	0.000	0.000	-3.175

	C1	C2	C3	C4	F5	F6
C1		1.3706	1.2112	2.5818	2.4900	3.8607
C2	1.3706		2.5818	1.2112	3.8607	2.4900
C3	1.2112	2.5818		3.7930	1.2789	5.0718
C4	2.5818	1.2112	3.7930		5.0718	1.2789
F5	2.4900	3.8607	1.2789	5.0718		6.3507
F6	3.8607	2.4900	5.0718	1.2789	6.3507

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: B3PW91/cc-pVDZ

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	0.448
2	C	0.448
3	C	-0.428
4	C	-0.428
5	F	-0.019
6	F	-0.019

<r²>	248.709
(<r²>)^1/2	15.771

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)