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	hartrees
Energy at 0K	-351.822448
Energy at 298.15K
HF Energy	-351.822448
Nuclear repulsion energy	163.462634

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	2469	2375	0.00	501.22	0.32	0.48
2	Σ_g	1407	1353	0.00	30.58	0.32	0.49
3	Σ_g	551	530	0.00	12.05	0.26	0.41
4	Σ_u	2349	2260	196.21	0.00	0.00	0.00
5	Σ_u	1024	985	220.86	0.00	0.00	0.00
6	Π_g	322	310	0.00	1.56	0.75	0.86
6	Π_g	322	310	0.00	1.56	0.75	0.86
7	Π_g	66i	64i	0.00	55.27	0.75	0.86
7	Π_g	66i	64i	0.00	55.27	0.75	0.86
8	Π_u	204	196	0.14	0.00	0.00	0.00
8	Π_u	204	196	0.14	0.00	0.00	0.00
9	Π_u	91	88	0.00	0.00	0.00	0.00
9	Π_u	91	88	0.00	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.681
C2	0.000	0.000	-0.681
C3	0.000	0.000	1.894
C4	0.000	0.000	-1.894
F5	0.000	0.000	3.217
F6	0.000	0.000	-3.217

	C1	C2	C3	C4	F5	F6
C1		1.3625	1.2132	2.5757	2.5357	3.8982
C2	1.3625		2.5757	1.2132	3.8982	2.5357
C3	1.2132	2.5757		3.7889	1.3225	5.1114
C4	2.5757	1.2132	3.7889		5.1114	1.3225
F5	2.5357	3.8982	1.3225	5.1114		6.4340
F6	3.8982	2.5357	5.1114	1.3225	6.4340

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: TPSSh/6-31G

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	0.597
2	C	0.597
3	C	-0.358
4	C	-0.358
5	F	-0.239
6	F	-0.239

<r²>	254.319
(<r²>)^1/2	15.947

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: TPSSh/6-31G

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)