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	hartrees
Energy at 0K	-351.836576
Energy at 298.15K
HF Energy	-351.455366
Nuclear repulsion energy	166.438264

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	2449	2339	0.00	561.88	0.27	0.42
2	Σ_g	1443	1379	0.00	47.64	0.36	0.53
3	Σ_g	560	535	0.00	7.03	0.21	0.35
4	Σ_u	2349	2244	393.44	0.00	0.00	0.00
5	Σ_u	1089	1040	312.62	0.00	0.00	0.00
6	Π_g	432	412	0.00	21.31	0.75	0.86
6	Π_g	432	412	0.00	21.31	0.75	0.86
7	Π_g	310	296	0.00	11.44	0.75	0.86
7	Π_g	310	296	0.00	11.44	0.75	0.86
8	Π_u	370	354	1.28	0.00	0.00	0.00
8	Π_u	370	354	1.28	0.00	0.00	0.00
9	Π_u	112	107	0.54	0.00	0.00	0.00
9	Π_u	112	107	0.54	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.683
C2	0.000	0.000	-0.683
C3	0.000	0.000	1.884
C4	0.000	0.000	-1.884
F5	0.000	0.000	3.160
F6	0.000	0.000	-3.160

	C1	C2	C3	C4	F5	F6
C1		1.3652	1.2012	2.5664	2.4769	3.8421
C2	1.3652		2.5664	1.2012	3.8421	2.4769
C3	1.2012	2.5664		3.7675	1.2758	5.0433
C4	2.5664	1.2012	3.7675		5.0433	1.2758
F5	2.4769	3.8421	1.2758	5.0433		6.3190
F6	3.8421	2.4769	5.0433	1.2758	6.3190

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=FULLultrafine/cc-pVTZ

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	-0.023
2	C	-0.023
3	C	0.109
4	C	0.109
5	F	-0.086
6	F	-0.086

<r²>	246.843
(<r²>)^1/2	15.711

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B2PLYP=FULLultrafine/cc-pVTZ

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)