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	hartrees
Energy at 0K	-351.627726
Energy at 298.15K
HF Energy	-351.334619
Nuclear repulsion energy	165.104540

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	2447	2447	0.00	575.41	0.26	0.41
2	Σ_g	1436	1436	0.00	51.57	0.40	0.57
3	Σ_g	559	559	0.00	8.35	0.18	0.30
4	Σ_u	2345	2345	361.24	0.00	0.26	0.41
5	Σ_u	1074	1074	321.80	0.00	0.00	0.00
6	Π_g	694	694	0.00	31.07	0.75	0.86
6	Π_g	694	694	0.00	31.07	0.75	0.86
7	Π_g	314	314	0.00	13.22	0.75	0.86
7	Π_g	314	314	0.00	13.22	0.75	0.86
8	Π_u	415	415	1.39	0.00	0.00	0.00
8	Π_u	415	415	1.39	0.00	0.00	0.00
9	Π_u	122	122	0.28	0.00	0.00	0.00
9	Π_u	122	122	0.28	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.686
C2	0.000	0.000	-0.686
C3	0.000	0.000	1.896
C4	0.000	0.000	-1.896
F5	0.000	0.000	3.185
F6	0.000	0.000	-3.185

	C1	C2	C3	C4	F5	F6
C1		1.3714	1.2101	2.5814	2.4992	3.8706
C2	1.3714		2.5814	1.2101	3.8706	2.4992
C3	1.2101	2.5814		3.7915	1.2892	5.0807
C4	2.5814	1.2101	3.7915		5.0807	1.2892
F5	2.4992	3.8706	1.2892	5.0807		6.3698
F6	3.8706	2.4992	5.0807	1.2892	6.3698

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: B2PLYP=FULLultrafine/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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All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)