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	hartrees
Energy at 0K	-351.186885
Energy at 298.15K
HF Energy	-350.170903
Nuclear repulsion energy	166.139668

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	2456	2320	0.00	405.60	0.31	0.48
2	Σ_g	1468	1387	0.00	43.08	0.33	0.50
3	Σ_g	561	530	0.00	5.08	0.19	0.32
4	Σ_u	2345	2215	374.46	0.00	0.00	0.00
5	Σ_u	1106	1044	255.56	0.00	0.00	0.00
6	Π_g	396	374	0.00	13.65	0.75	0.86
6	Π_g	396	374	0.00	13.65	0.75	0.86
7	Π_g	308	291	0.00	15.12	0.75	0.86
7	Π_g	308	291	0.00	15.12	0.75	0.86
8	Π_u	361	341	1.90	0.00	0.75	0.86
8	Π_u	361	341	1.90	0.00	0.75	0.86
9	Π_u	110	104	0.45	0.00	0.00	0.00
9	Π_u	110	104	0.45	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.683
C2	0.000	0.000	-0.683
C3	0.000	0.000	1.893
C4	0.000	0.000	-1.893
F5	0.000	0.000	3.165
F6	0.000	0.000	-3.165

	C1	C2	C3	C4	F5	F6
C1		1.3660	1.2097	2.5757	2.4819	3.8479
C2	1.3660		2.5757	1.2097	3.8479	2.4819
C3	1.2097	2.5757		3.7855	1.2722	5.0577
C4	2.5757	1.2097	3.7855		5.0577	1.2722
F5	2.4819	3.8479	1.2722	5.0577		6.3299
F6	3.8479	2.4819	5.0577	1.2722	6.3299

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: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)