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	hartrees
Energy at 0K	-351.882179
Energy at 298.15K
HF Energy	-351.882179
Nuclear repulsion energy	166.862438

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	2537	2537	0.00	562.21	0.30	0.47
2	Σ_g	1457	1457	0.00	39.07	0.34	0.51
3	Σ_g	566	566	0.00	6.24	0.21	0.35
4	Σ_u	2419	2419	421.93	0.00	0.00	0.00
5	Σ_u	1106	1106	359.31	0.00	0.00	0.00
6	Π_g	411	411	0.00	43.38	0.75	0.86
6	Π_g	411	411	0.00	43.38	0.75	0.86
7	Π_g	334	334	0.00	3.67	0.75	0.86
7	Π_g	334	334	0.00	3.67	0.75	0.86
8	Π_u	410	410	3.60	0.00	0.00	0.00
8	Π_u	410	410	3.60	0.00	0.00	0.00
9	Π_u	110	110	0.60	0.00	0.00	0.00
9	Π_u	110	110	0.60	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.687
C2	0.000	0.000	-0.687
C3	0.000	0.000	1.881
C4	0.000	0.000	-1.881
F5	0.000	0.000	3.152
F6	0.000	0.000	-3.152

	C1	C2	C3	C4	F5	F6
C1		1.3731	1.1949	2.5680	2.4655	3.8386
C2	1.3731		2.5680	1.1949	3.8386	2.4655
C3	1.1949	2.5680		3.7629	1.2706	5.0335
C4	2.5680	1.1949	3.7629		5.0335	1.2706
F5	2.4655	3.8386	1.2706	5.0335		6.3041
F6	3.8386	2.4655	5.0335	1.2706	6.3041

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/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	-0.019
2	C	-0.019
3	C	0.133
4	C	0.133
5	F	-0.114
6	F	-0.114

<r²>	245.767
(<r²>)^1/2	15.677

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: wB97X-D/6-311G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)