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	hartrees
Energy at 0K	-176.419363
Energy at 298.15K
HF Energy	-176.419363
Nuclear repulsion energy	55.298910

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	3421	3397	94.04	24.25	0.32	0.49
2	Σ	2261	2245	126.47	44.63	0.14	0.24
3	Σ	1064	1056	73.06	9.45	0.22	0.36
4	Π	564	560	47.21	0.19	0.75	0.86
4	Π	564	560	47.21	0.19	0.75	0.86
5	Π	372	369	3.55	9.79	0.75	0.86
5	Π	372	369	3.55	9.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.093
C2	0.000	0.000	-1.297
F3	0.000	0.000	1.190
H4	0.000	0.000	-2.365

	C1	C2	F3	H4
C1		1.2039	1.2830	2.2718
C2	1.2039		2.4868	1.0679
F3	1.2830	2.4868		3.5547
H4	2.2718	1.0679	3.5547

Number	Element	Mulliken
1	C	0.098
2	C	-0.222
3	F	-0.039
4	H	0.163

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: PBEPBE/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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<r²>	38.231
(<r²>)^1/2	6.183