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	hartrees
Energy at 0K	-351.819552
Energy at 298.15K
HF Energy	-351.819552
Nuclear repulsion energy	166.105758

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	2511	2402	0.00	610.19	0.26	0.41
2	Σ_g	1469	1406	0.00	47.50	0.40	0.58
3	Σ_g	571	547	0.00	9.15	0.18	0.31
4	Σ_u	2406	2302	396.76	0.00	0.00	0.00
5	Σ_u	1108	1060	359.02	0.00	0.00	0.00
6	Π_g	683	653	0.00	32.02	0.75	0.86
6	Π_g	683	653	0.00	32.02	0.75	0.86
7	Π_g	322	308	0.00	14.02	0.75	0.86
7	Π_g	322	308	0.00	14.02	0.75	0.86
8	Π_u	422	404	1.45	0.00	0.00	0.00
8	Π_u	422	404	1.45	0.00	0.00	0.00
9	Π_u	123	117	0.35	0.00	0.00	0.00
9	Π_u	123	117	0.35	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	1.888
C4	0.000	0.000	-1.888
F5	0.000	0.000	3.166
F6	0.000	0.000	-3.166

	C1	C2	C3	C4	F5	F6
C1		1.3681	1.2036	2.5717	2.4818	3.8499
C2	1.3681		2.5717	1.2036	3.8499	2.4818
C3	1.2036	2.5717		3.7752	1.2782	5.0535
C4	2.5717	1.2036	3.7752		5.0535	1.2782
F5	2.4818	3.8499	1.2782	5.0535		6.3317
F6	3.8499	2.4818	5.0535	1.2782	6.3317

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: B1B95/6-31+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	0.979
2	C	0.979
3	C	-0.597
4	C	-0.597
5	F	-0.382
6	F	-0.382

<r²>	247.915
(<r²>)^1/2	15.745

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)