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	hartrees
Energy at 0K	-351.826125
Energy at 298.15K
HF Energy	-351.471609
Nuclear repulsion energy	166.209113

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	2436	2436	0.00	585.51	0.26	0.41
2	Σ_g	1438	1438	0.00	49.94	0.39	0.56
3	Σ_g	559	559	0.00	7.99	0.17	0.29
4	Σ_u	2337	2337	390.88	0.00	0.00	0.00
5	Σ_u	1085	1085	321.93	0.00	0.00	0.00
6	Π_g	426	426	0.00	21.61	0.75	0.86
6	Π_g	426	426	0.00	21.61	0.75	0.86
7	Π_g	302	302	0.00	12.97	0.75	0.86
7	Π_g	302	302	0.00	12.97	0.75	0.86
8	Π_u	356	356	0.86	0.00	0.00	0.00
8	Π_u	356	356	0.86	0.00	0.00	0.00
9	Π_u	111	111	0.54	0.00	0.00	0.00
9	Π_u	111	111	0.54	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.684
C2	0.000	0.000	-0.684
C3	0.000	0.000	1.887
C4	0.000	0.000	-1.887
F5	0.000	0.000	3.164
F6	0.000	0.000	-3.164

	C1	C2	C3	C4	F5	F6
C1		1.3680	1.2030	2.5710	2.4799	3.8479
C2	1.3680		2.5710	1.2030	3.8479	2.4799
C3	1.2030	2.5710		3.7740	1.2769	5.0509
C4	2.5710	1.2030	3.7740		5.0509	1.2769
F5	2.4799	3.8479	1.2769	5.0509		6.3278
F6	3.8479	2.4799	5.0509	1.2769	6.3278

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: B2PLYP/Def2TZVPP

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	-0.118
2	C	-0.118
3	C	0.253
4	C	0.253
5	F	-0.135
6	F	-0.135

<r²>	247.631
(<r²>)^1/2	15.736

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B2PLYP/Def2TZVPP

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)