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	hartrees
Energy at 0K	-69.485058
Energy at 298.15K
HF Energy	-69.485058
Nuclear repulsion energy	82.279511

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	2680	2421	0.00	535.13	0.26	0.41
2	Σ_g	1505	1360	0.00	41.07	0.36	0.53
3	Σ_g	583	527	0.00	5.16	0.16	0.27
4	Σ_u	2561	2314	435.01	0.00	0.00	0.00
5	Σ_u	1173	1059	345.63	0.00	0.00	0.00
6	Π_g	650	587	0.00	58.41	0.75	0.86
6	Π_g	650	587	0.00	58.41	0.75	0.86
7	Π_g	368	333	0.00	6.70	0.75	0.86
7	Π_g	368	333	0.00	6.70	0.75	0.86
8	Π_u	515	465	6.75	0.00	0.00	0.00
8	Π_u	515	465	6.75	0.00	0.00	0.00
9	Π_u	138	125	0.18	0.00	0.00	0.00
9	Π_u	138	125	0.18	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.700
C2	0.000	0.000	-0.700
C3	0.000	0.000	1.880
C4	0.000	0.000	-1.880
F5	0.000	0.000	3.152
F6	0.000	0.000	-3.152

	C1	C2	C3	C4	F5	F6
C1		1.3992	1.1807	2.5800	2.4528	3.8520
C2	1.3992		2.5800	1.1807	3.8520	2.4528
C3	1.1807	2.5800		3.7607	1.2720	5.0328
C4	2.5800	1.1807	3.7607		5.0328	1.2720
F5	2.4528	3.8520	1.2720	5.0328		6.3048
F6	3.8520	2.4528	5.0328	1.2720	6.3048

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: HF/CEP-121G*

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	1.701
2	C	1.701
3	C	-1.526
4	C	-1.526
5	F	-0.176
6	F	-0.176

<r²>	190.553
(<r²>)^1/2	13.804

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)