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	hartrees
Energy at 0K	-351.945780
Energy at 298.15K
HF Energy	-351.945780
Nuclear repulsion energy	167.034521

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	2511	2396	0.00	610.78	0.26	0.42
2	Σ_g	1468	1401	0.00	43.34	0.39	0.56
3	Σ_g	572	546	0.00	8.11	0.19	0.32
4	Σ_u	2409	2298	421.72	0.00	0.00	0.00
5	Σ_u	1112	1061	367.20	0.00	0.00	0.00
6	Π_g	444	423	0.00	36.67	0.75	0.86
6	Π_g	444	423	0.00	36.67	0.75	0.86
7	Π_g	314	299	0.00	14.63	0.75	0.86
7	Π_g	314	299	0.00	14.63	0.75	0.86
8	Π_u	373	356	1.98	0.00	0.00	0.00
8	Π_u	373	356	1.98	0.00	0.00	0.00
9	Π_u	111	106	0.57	0.00	0.00	0.00
9	Π_u	111	106	0.57	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.682
C2	0.000	0.000	-0.682
C3	0.000	0.000	1.879
C4	0.000	0.000	-1.879
F5	0.000	0.000	3.148
F6	0.000	0.000	-3.148

	C1	C2	C3	C4	F5	F6
C1		1.3638	1.1971	2.5609	2.4665	3.8302
C2	1.3638		2.5609	1.1971	3.8302	2.4665
C3	1.1971	2.5609		3.7581	1.2693	5.0274
C4	2.5609	1.1971	3.7581		5.0274	1.2693
F5	2.4665	3.8302	1.2693	5.0274		6.2967
F6	3.8302	2.4665	5.0274	1.2693	6.2967

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: mPW1PW91/TZVP

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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Number	Element	Mulliken
1	C	-0.074
2	C	-0.074
3	C	0.190
4	C	0.190
5	F	-0.115
6	F	-0.115

<r²>	245.366
(<r²>)^1/2	15.664

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: mPW1PW91/TZVP

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)