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	hartrees
Energy at 0K	-351.924526
Energy at 298.15K
HF Energy	-351.924526
Nuclear repulsion energy	166.755444

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	2536	2422	0.00	588.96	0.26	0.41
2	Σ_g	1460	1394	0.00	39.75	0.36	0.53
3	Σ_g	567	542	0.00	5.87	0.21	0.34
4	Σ_u	2428	2319	413.48	0.00	0.00	0.00
5	Σ_u	1117	1067	337.90	0.00	0.00	0.00
6	Π_g	485	464	0.00	26.23	0.75	0.86
6	Π_g	485	464	0.00	26.23	0.75	0.86
7	Π_g	333	318	0.00	4.76	0.75	0.86
7	Π_g	333	318	0.00	4.76	0.75	0.86
8	Π_u	429	410	3.17	0.00	0.00	0.00
8	Π_u	429	410	3.17	0.00	0.00	0.00
9	Π_u	111	106	0.46	0.00	0.00	0.00
9	Π_u	111	106	0.46	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.688
C2	0.000	0.000	-0.688
C3	0.000	0.000	1.881
C4	0.000	0.000	-1.881
F5	0.000	0.000	3.154
F6	0.000	0.000	-3.154

	C1	C2	C3	C4	F5	F6
C1		1.3761	1.1933	2.5694	2.4662	3.8423
C2	1.3761		2.5694	1.1933	3.8423	2.4662
C3	1.1933	2.5694		3.7627	1.2729	5.0356
C4	2.5694	1.1933	3.7627		5.0356	1.2729
F5	2.4662	3.8423	1.2729	5.0356		6.3085
F6	3.8423	2.4662	5.0356	1.2729	6.3085

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: M06-2X/cc-pVTZ

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	-0.171
2	C	-0.171
3	C	0.264
4	C	0.264
5	F	-0.093
6	F	-0.093

<r²>	246.261
(<r²>)^1/2	15.693

All results from a given calculation for C4F2 (difluorobutadiyne)

using model chemistry: M06-2X/cc-pVTZ

States and conformations

All results from a given calculation for C₄F₂ (difluorobutadiyne)