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	hartrees
Energy at 0K	-347.067205
Energy at 298.15K
HF Energy	-347.067205
Nuclear repulsion energy	162.921614

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	2671	2671	0.00	339.48	0.33	0.50
2	Σ_g	1485	1485	0.00	42.78	0.33	0.49
3	Σ_g	569	569	0.00	2.39	0.24	0.39
4	Σ_u	2565	2565	245.44	0.00	0.00	0.00
5	Σ_u	1130	1130	69.86	0.00	0.00	0.00
6	Π_g	466	466	0.00	17.66	0.75	0.86
6	Π_g	466	466	0.00	17.66	0.75	0.86
7	Π_g	306	306	0.00	3.78	0.75	0.86
7	Π_g	306	306	0.00	3.78	0.75	0.86
8	Π_u	353	353	2.60	0.00	0.00	0.00
8	Π_u	353	353	2.60	0.00	0.00	0.00
9	Π_u	109	109	0.51	0.00	0.00	0.00
9	Π_u	109	109	0.51	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.696
C2	0.000	0.000	-0.696
C3	0.000	0.000	1.906
C4	0.000	0.000	-1.906
F5	0.000	0.000	3.229
F6	0.000	0.000	-3.229

	C1	C2	C3	C4	F5	F6
C1		1.3930	1.2093	2.6022	2.5322	3.9252
C2	1.3930		2.6022	1.2093	3.9252	2.5322
C3	1.2093	2.6022		3.8115	1.3229	5.1345
C4	2.6022	1.2093	3.8115		5.1345	1.3229
F5	2.5322	3.9252	1.3229	5.1345		6.4574
F6	3.9252	2.5322	5.1345	1.3229	6.4574

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/STO-3G

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	-0.058
2	C	-0.058
3	C	0.062
4	C	0.062
5	F	-0.004
6	F	-0.004

<r²>	253.237
(<r²>)^1/2	15.913

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: wB97X-D/STO-3G

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)