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	hartrees
Energy at 0K	-69.927061
Energy at 298.15K
HF Energy	-69.340598
Nuclear repulsion energy	78.755121

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	2325	2270	0.00	393.45	0.29	0.45
2	Σ_g	1301	1270	0.00	27.57	0.35	0.51
3	Σ_g	502	490	0.00	5.85	0.18	0.30
4	Σ_u	2182	2129	174.23	0.00	0.00	0.00
5	Σ_u	941	919	170.00	0.00	0.00	0.00
6	Π_g	241	235	0.00	15.60	0.75	0.86
6	Π_g	241	235	0.00	15.60	0.75	0.86
7	Π_g	309i	302i	0.00	39.60	0.75	0.86
7	Π_g	309i	302i	0.00	39.60	0.75	0.86
8	Π_u	283	276	1.72	0.00	0.75	0.86
8	Π_u	283	276	1.72	0.00	0.75	0.86
9	Π_u	100	97	0.15	0.00	0.00	0.00
9	Π_u	100	97	0.15	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.702
C2	0.000	0.000	-0.702
C3	0.000	0.000	1.937
C4	0.000	0.000	-1.937
F5	0.000	0.000	3.289
F6	0.000	0.000	-3.289

	C1	C2	C3	C4	F5	F6
C1		1.4040	1.2350	2.6390	2.5870	3.9910
C2	1.4040		2.6390	1.2350	3.9910	2.5870
C3	1.2350	2.6390		3.8740	1.3520	5.2260
C4	2.6390	1.2350	3.8740		5.2260	1.3520
F5	2.5870	3.9910	1.3520	5.2260		6.5780
F6	3.9910	2.5870	5.2260	1.3520	6.5780

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: MP2/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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All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: MP2/CEP-121G

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)