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	hartrees
Energy at 0K	-69.309359
Energy at 298.15K
HF Energy	-69.309359
Nuclear repulsion energy	80.255056

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	2710	2443	0.00	466.61	0.29	0.45
2	Σ_g	1459	1316	0.00	43.88	0.36	0.53
3	Σ_g	571	514	0.00	9.58	0.27	0.42
4	Σ_u	2557	2305	208.61	0.00	0.00	0.00
5	Σ_u	1086	979	211.15	0.00	0.00	0.00
6	Π_g	531	479	0.00	95.77	0.75	0.86
6	Π_g	531	479	0.00	95.77	0.75	0.86
7	Π_g	322	290	0.00	7.16	0.75	0.86
7	Π_g	322	290	0.00	7.16	0.75	0.86
8	Π_u	437	394	7.66	0.00	0.00	0.00
8	Π_u	437	394	7.66	0.00	0.00	0.00
9	Π_u	121	109	0.15	0.00	0.00	0.00
9	Π_u	121	109	0.15	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.704
C2	0.000	0.000	-0.704
C3	0.000	0.000	1.921
C4	0.000	0.000	-1.921
F5	0.000	0.000	3.230
F6	0.000	0.000	-3.230

	C1	C2	C3	C4	F5	F6
C1		1.4088	1.2164	2.6252	2.5255	3.9343
C2	1.4088		2.6252	1.2164	3.9343	2.5255
C3	1.2164	2.6252		3.8415	1.3092	5.1507
C4	2.6252	1.2164	3.8415		5.1507	1.3092
F5	2.5255	3.9343	1.3092	5.1507		6.4599
F6	3.9343	2.5255	5.1507	1.3092	6.4599

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: HF/CEP-31G

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	1.912
2	C	1.912
3	C	-1.776
4	C	-1.776
5	F	-0.136
6	F	-0.136

<r²>	200.618
(<r²>)^1/2	14.164

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)