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	hartrees
Energy at 0K	-352.042994
Energy at 298.15K
HF Energy	-352.042994
Nuclear repulsion energy	166.470556

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	2475	2389	0.00	622.90	0.26	0.42
2	Σ_g	1438	1388	0.00	43.19	0.39	0.56
3	Σ_g	564	545	0.00	8.60	0.19	0.32
4	Σ_u	2377	2295	395.24	0.00	0.00	0.00
5	Σ_u	1086	1048	364.22	0.00	0.00	0.00
6	Π_g	436	421	0.00	34.58	0.75	0.86
6	Π_g	436	421	0.00	34.58	0.75	0.86
7	Π_g	300	290	0.00	17.97	0.75	0.86
7	Π_g	300	290	0.00	17.97	0.75	0.86
8	Π_u	356	343	1.45	0.00	0.00	0.00
8	Π_u	356	343	1.45	0.00	0.00	0.00
9	Π_u	110	106	0.45	0.00	0.00	0.00
9	Π_u	110	106	0.45	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.682
C2	0.000	0.000	-0.682
C3	0.000	0.000	1.881
C4	0.000	0.000	-1.881
F5	0.000	0.000	3.159
F6	0.000	0.000	-3.159

	C1	C2	C3	C4	F5	F6
C1		1.3649	1.1990	2.5639	2.4765	3.8415
C2	1.3649		2.5639	1.1990	3.8415	2.4765
C3	1.1990	2.5639		3.7629	1.2775	5.0404
C4	2.5639	1.1990	3.7629		5.0404	1.2775
F5	2.4765	3.8415	1.2775	5.0404		6.3180
F6	3.8415	2.4765	5.0404	1.2775	6.3180

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: B3LYP/TZVP

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	-0.100
2	C	-0.100
3	C	0.229
4	C	0.229
5	F	-0.129
6	F	-0.129

<r²>	246.982
(<r²>)^1/2	15.716

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)