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	hartrees
Energy at 0K	-351.802338
Energy at 298.15K
HF Energy	-351.802338
Nuclear repulsion energy	166.224486

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	2524	2410	0.00	497.64	0.32	0.48
2	Σ_g	1483	1416	0.00	40.64	0.33	0.49
3	Σ_g	576	550	0.00	8.14	0.23	0.38
4	Σ_u	2421	2312	372.25	0.00	0.00	0.00
5	Σ_u	1122	1072	321.57	0.00	0.00	0.00
6	Π_g	525	502	0.00	30.19	0.75	0.86
6	Π_g	525	502	0.00	30.19	0.75	0.86
7	Π_g	314	300	0.00	14.73	0.75	0.86
7	Π_g	314	300	0.00	14.73	0.75	0.86
8	Π_u	372	356	1.86	0.00	0.00	0.00
8	Π_u	372	356	1.86	0.00	0.00	0.00
9	Π_u	120	114	0.27	0.00	0.00	0.00
9	Π_u	120	114	0.27	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.684
C2	0.000	0.000	-0.684
C3	0.000	0.000	1.887
C4	0.000	0.000	-1.887
F5	0.000	0.000	3.164
F6	0.000	0.000	-3.164

	C1	C2	C3	C4	F5	F6
C1		1.3672	1.2031	2.5703	2.4800	3.8472
C2	1.3672		2.5703	1.2031	3.8472	2.4800
C3	1.2031	2.5703		3.7734	1.2769	5.0503
C4	2.5703	1.2031	3.7734		5.0503	1.2769
F5	2.4800	3.8472	1.2769	5.0503		6.3272
F6	3.8472	2.4800	5.0503	1.2769	6.3272

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: B1B95/6-31G**

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	0.658
2	C	0.658
3	C	-0.499
4	C	-0.499
5	F	-0.160
6	F	-0.160

<r²>	246.692
(<r²>)^1/2	15.706

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: B1B95/6-31G**

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)