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	hartrees
Energy at 0K	-351.669422
Energy at 298.15K
HF Energy	-351.361038
Nuclear repulsion energy	164.770645

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	2435	2342	0.00	622.53	0.23	0.37
2	Σ_g	1422	1368	0.00	52.13	0.43	0.60
3	Σ_g	554	533	0.00	9.79	0.14	0.24
4	Σ_u	2328	2239	367.81	0.00	0.00	0.00
5	Σ_u	1060	1019	317.86	0.00	0.00	0.00
6	Π_g	295	284	0.00	11.03	0.75	0.86
6	Π_g	295	284	0.00	11.03	0.75	0.86
7	Π_g	48i	46i	0.00	17.76	0.75	0.86
7	Π_g	48i	46i	0.00	17.76	0.75	0.86
8	Π_u	328	316	0.54	0.00	0.00	0.00
8	Π_u	328	316	0.54	0.00	0.00	0.00
9	Π_u	97	93	0.45	0.00	0.00	0.00
9	Π_u	97	93	0.45	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.688
C2	0.000	0.000	-0.688
C3	0.000	0.000	1.904
C4	0.000	0.000	-1.904
F5	0.000	0.000	3.191
F6	0.000	0.000	-3.191

	C1	C2	C3	C4	F5	F6
C1		1.3764	1.2159	2.5922	2.5031	3.8795
C2	1.3764		2.5922	1.2159	3.8795	2.5031
C3	1.2159	2.5922		3.8081	1.2873	5.0954
C4	2.5922	1.2159	3.8081		5.0954	1.2873
F5	2.5031	3.8795	1.2873	5.0954		6.3826
F6	3.8795	2.5031	5.0954	1.2873	6.3826

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=FULL/aug-cc-pVDZ

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=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)