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	hartrees
Energy at 0K	-351.824608
Energy at 298.15K
HF Energy	-351.824608
Nuclear repulsion energy	165.828099

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	2531	2423	0.00	661.41	0.23	0.37
2	Σ_g	1444	1383	0.00	48.55	0.44	0.61
3	Σ_g	563	539	0.00	8.37	0.12	0.22
4	Σ_u	2410	2307	399.62	0.00	0.00	0.00
5	Σ_u	1092	1046	346.62	0.00	0.00	0.00
6	Π_g	322	309	0.00	15.89	0.75	0.86
6	Π_g	322	309	0.00	15.89	0.75	0.86
7	Π_g	217	208	0.00	13.70	0.75	0.86
7	Π_g	217	208	0.00	13.70	0.75	0.86
8	Π_u	375	359	0.84	0.00	0.00	0.00
8	Π_u	375	359	0.84	0.00	0.00	0.00
9	Π_u	100	96	0.59	0.00	0.00	0.00
9	Π_u	100	96	0.59	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.690
C2	0.000	0.000	-0.690
C3	0.000	0.000	1.895
C4	0.000	0.000	-1.895
F5	0.000	0.000	3.172
F6	0.000	0.000	-3.172

	C1	C2	C3	C4	F5	F6
C1		1.3798	1.2047	2.5845	2.4816	3.8614
C2	1.3798		2.5845	1.2047	3.8614	2.4816
C3	1.2047	2.5845		3.7891	1.2770	5.0661
C4	2.5845	1.2047	3.7891		5.0661	1.2770
F5	2.4816	3.8614	1.2770	5.0661		6.3431
F6	3.8614	2.4816	5.0661	1.2770	6.3431

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: wB97X-D/aug-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	1.088
2	C	1.088
3	C	-0.637
4	C	-0.637
5	F	-0.451
6	F	-0.451

<r²>	248.890
(<r²>)^1/2	15.776

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)