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	hartrees
Energy at 0K	-349.899098
Energy at 298.15K
HF Energy	-349.899098
Nuclear repulsion energy	165.406801

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	2561	2445	0.00	422.60	0.34	0.51
2	Σ_g	1481	1414	0.00	37.04	0.33	0.50
3	Σ_g	576	550	0.00	8.54	0.27	0.43
4	Σ_u	2444	2334	215.19	0.00	0.00	0.00
5	Σ_u	1123	1072	204.12	0.00	0.00	0.00
6	Π_g	562	536	0.00	54.17	0.75	0.86
6	Π_g	562	536	0.00	54.17	0.75	0.86
7	Π_g	339	323	0.00	1.62	0.75	0.86
7	Π_g	339	323	0.00	1.62	0.75	0.86
8	Π_u	461	440	2.80	0.00	0.00	0.00
8	Π_u	461	440	2.80	0.00	0.00	0.00
9	Π_u	97	93	0.26	0.00	0.00	0.00
9	Π_u	97	93	0.26	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.677
C2	0.000	0.000	-0.677
C3	0.000	0.000	1.877
C4	0.000	0.000	-1.877
F5	0.000	0.000	3.179
F6	0.000	0.000	-3.179

	C1	C2	C3	C4	F5	F6
C1		1.3549	1.1993	2.5542	2.5018	3.8567
C2	1.3549		2.5542	1.1993	3.8567	2.5018
C3	1.1993	2.5542		3.7535	1.3025	5.0560
C4	2.5542	1.1993	3.7535		5.0560	1.3025
F5	2.5018	3.8567	1.3025	5.0560		6.3585
F6	3.8567	2.5018	5.0560	1.3025	6.3585

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: B1B95/3-21G*

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	0.328
2	C	0.328
3	C	-0.067
4	C	-0.067
5	F	-0.261
6	F	-0.261

<r²>	248.749
(<r²>)^1/2	15.772

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B1B95/3-21G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)