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	hartrees
Energy at 0K	-348.853772
Energy at 298.15K
HF Energy	-348.241323
Nuclear repulsion energy	163.145318

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	2450	2322	0.00	277.67	0.35	0.51
2	Σ_g	1423	1349	0.00	30.83	0.35	0.52
3	Σ_g	546	518	0.00	3.90	0.25	0.41
4	Σ_u	2316	2196	162.73	0.00	0.00	0.00
5	Σ_u	1077	1021	155.67	0.00	0.00	0.00
6	Π_g	324	307	0.00	8.12	0.75	0.86
6	Π_g	324	307	0.00	8.12	0.75	0.86
7	Π_g	410i	389i	0.00	34.80	0.75	0.86
7	Π_g	410i	389i	0.00	34.80	0.75	0.86
8	Π_u	347	329	3.59	0.00	0.00	0.00
8	Π_u	347	329	3.59	0.00	0.00	0.00
9	Π_u	60	57	0.27	0.00	0.00	0.00
9	Π_u	60	57	0.27	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.687
C2	0.000	0.000	-0.687
C3	0.000	0.000	1.902
C4	0.000	0.000	-1.902
F5	0.000	0.000	3.223
F6	0.000	0.000	-3.223

	C1	C2	C3	C4	F5	F6
C1		1.3742	1.2153	2.5895	2.5363	3.9105
C2	1.3742		2.5895	1.2153	3.9105	2.5363
C3	1.2153	2.5895		3.8048	1.3210	5.1258
C4	2.5895	1.2153	3.8048		5.1258	1.3210
F5	2.5363	3.9105	1.3210	5.1258		6.4468
F6	3.9105	2.5363	5.1258	1.3210	6.4468

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=FULL/3-21G*

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=FULL/3-21G*

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)