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	hartrees
Energy at 0K	-176.499456
Energy at 298.15K
HF Energy	-176.499456
Nuclear repulsion energy	55.943290

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	3528	3379	94.94	24.83	0.22	0.36
2	Σ	2387	2286	112.02	32.79	0.20	0.33
3	Σ	1126	1079	73.22	8.93	0.21	0.34
4	Π	617	591	49.67	0.05	0.75	0.86
4	Π	617	591	49.67	0.05	0.75	0.86
5	Π	457	438	2.93	8.31	0.75	0.86
5	Π	457	438	2.93	8.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.091
C2	0.000	0.000	-1.282
F3	0.000	0.000	1.175
H4	0.000	0.000	-2.342

	C1	C2	F3	H4
C1		1.1917	1.2661	2.2513
C2	1.1917		2.4578	1.0597
F3	1.2661	2.4578		3.5174
H4	2.2513	1.0597	3.5174

Number	Element	Mulliken
1	C	0.327
2	C	-0.547
3	F	-0.007
4	H	0.227

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B1B95/6-31G(2df,p)

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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<r²>	37.212
(<r²>)^1/2	6.100