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	hartrees
Energy at 0K	-351.826478
Energy at 298.15K
HF Energy	-351.826478
Nuclear repulsion energy	166.049950

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	2509	2388	0.00	619.99	0.26	0.41
2	Σ_g	1470	1399	0.00	47.47	0.40	0.57
3	Σ_g	572	545	0.00	9.36	0.18	0.31
4	Σ_u	2405	2289	391.43	0.00	0.00	0.00
5	Σ_u	1108	1054	355.61	0.00	0.00	0.00
6	Π_g	676	644	0.00	33.46	0.75	0.86
6	Π_g	676	644	0.00	33.46	0.75	0.86
7	Π_g	322	306	0.00	14.83	0.75	0.86
7	Π_g	322	306	0.00	14.83	0.75	0.86
8	Π_u	420	400	1.18	0.00	0.00	0.00
8	Π_u	420	400	1.18	0.00	0.00	0.00
9	Π_u	123	117	0.42	0.00	0.00	0.00
9	Π_u	123	117	0.42	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		1.3681	1.2045	2.5726	2.4828	3.8509
C2	1.3681		2.5726	1.2045	3.8509	2.4828
C3	1.2045	2.5726		3.7770	1.2784	5.0554
C4	2.5726	1.2045	3.7770		5.0554	1.2784
F5	2.4828	3.8509	1.2784	5.0554		6.3338
F6	3.8509	2.4828	5.0554	1.2784	6.3338

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: mPW1PW91/6-31+G**

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	1.144
2	C	1.144
3	C	-0.766
4	C	-0.766
5	F	-0.378
6	F	-0.378

<r²>	248.053
(<r²>)^1/2	15.750

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)