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	hartrees
Energy at 0K	-351.724489
Energy at 298.15K
HF Energy	-351.416860
Nuclear repulsion energy	166.052600

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	2452	2452	0.00	511.55	0.31	0.47
2	Σ_g	1440	1440	0.00	42.77	0.34	0.51
3	Σ_g	558	558	0.00	7.06	0.22	0.36
4	Σ_u	2347	2347	391.06	0.00	0.00	0.00
5	Σ_u	1081	1081	321.49	0.00	0.00	0.00
6	Π_g	328	328	0.00	4.71	0.75	0.86
6	Π_g	328	328	0.00	4.71	0.75	0.86
7	Π_g	310	310	0.00	38.11	0.75	0.86
7	Π_g	310	310	0.00	38.11	0.75	0.86
8	Π_u	362	362	2.06	0.00	0.00	0.00
8	Π_u	362	362	2.06	0.00	0.00	0.00
9	Π_u	110	110	0.47	0.00	0.00	0.00
9	Π_u	110	110	0.47	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	1.889
C4	0.000	0.000	-1.889
F5	0.000	0.000	3.167
F6	0.000	0.000	-3.167

	C1	C2	C3	C4	F5	F6
C1		1.3689	1.2045	2.5735	2.4824	3.8513
C2	1.3689		2.5735	1.2045	3.8513	2.4824
C3	1.2045	2.5735		3.7780	1.2779	5.0558
C4	2.5735	1.2045	3.7780		5.0558	1.2779
F5	2.4824	3.8513	1.2779	5.0558		6.3337
F6	3.8513	2.4824	5.0558	1.2779	6.3337

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/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	0.028
2	C	0.028
3	C	0.091
4	C	0.091
5	F	-0.119
6	F	-0.119

<r²>	247.953
(<r²>)^1/2	15.747

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B2PLYP/6-311G**

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)