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	hartrees
Energy at 0K	-351.696782
Energy at 298.15K
HF Energy	-351.696782
Nuclear repulsion energy	167.008393

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	2498	2401	0.00	603.46	0.26	0.42
2	Σ_g	1468	1411	0.00	44.37	0.36	0.53
3	Σ_g	571	549	0.00	8.02	0.21	0.35
4	Σ_u	2398	2305	421.11	0.00	0.00	0.00
5	Σ_u	1114	1070	345.72	0.00	0.00	0.00
6	Π_g	457	440	0.00	23.94	0.75	0.86
6	Π_g	457	440	0.00	23.94	0.75	0.86
7	Π_g	321	309	0.00	10.01	0.75	0.86
7	Π_g	321	309	0.00	10.01	0.75	0.86
8	Π_u	392	377	1.36	0.00	0.00	0.00
8	Π_u	392	377	1.36	0.00	0.00	0.00
9	Π_u	112	108	0.72	0.00	0.00	0.00
9	Π_u	112	108	0.72	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.682
C2	0.000	0.000	-0.682
C3	0.000	0.000	1.880
C4	0.000	0.000	-1.880
F5	0.000	0.000	3.149
F6	0.000	0.000	-3.149

	C1	C2	C3	C4	F5	F6
C1		1.3645	1.1975	2.5620	2.4666	3.8311
C2	1.3645		2.5620	1.1975	3.8311	2.4666
C3	1.1975	2.5620		3.7595	1.2691	5.0286
C4	2.5620	1.1975	3.7595		5.0286	1.2691
F5	2.4666	3.8311	1.2691	5.0286		6.2977
F6	3.8311	2.4666	5.0286	1.2691	6.2977

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: HSEh1PBE/cc-pVTZ

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	-0.005
2	C	-0.005
3	C	0.078
4	C	0.078
5	F	-0.073
6	F	-0.073

<r²>	245.167
(<r²>)^1/2	15.658

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)