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	hartrees
Energy at 0K	-351.935749
Energy at 298.15K
HF Energy	-351.935749
Nuclear repulsion energy	167.003257

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	2523	2410	0.00	628.20	0.25	0.40
2	Σ_g	1456	1390	0.00	47.20	0.40	0.57
3	Σ_g	567	541	0.00	6.93	0.15	0.27
4	Σ_u	2410	2302	423.93	0.00	0.00	0.00
5	Σ_u	1113	1063	352.67	0.00	0.00	0.00
6	Π_g	476	455	0.00	29.41	0.75	0.86
6	Π_g	476	455	0.00	29.41	0.75	0.86
7	Π_g	326	311	0.00	6.98	0.75	0.86
7	Π_g	326	311	0.00	6.98	0.75	0.86
8	Π_u	409	391	1.53	0.00	0.00	0.00
8	Π_u	409	391	1.53	0.00	0.00	0.00
9	Π_u	112	107	0.73	0.00	0.00	0.00
9	Π_u	112	107	0.73	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	3.149
F6	0.000	0.000	-3.149

	C1	C2	C3	C4	F5	F6
C1		1.3735	1.1938	2.5673	2.4627	3.8362
C2	1.3735		2.5673	1.1938	3.8362	2.4627
C3	1.1938	2.5673		3.7611	1.2689	5.0300
C4	2.5673	1.1938	3.7611		5.0300	1.2689
F5	2.4627	3.8362	1.2689	5.0300		6.2989
F6	3.8362	2.4627	5.0300	1.2689	6.2989

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/Def2TZVPP

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	-0.164
2	C	-0.164
3	C	0.291
4	C	0.291
5	F	-0.127
6	F	-0.127

<r²>	245.405
(<r²>)^1/2	15.665

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)