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	hartrees
Energy at 0K	-176.617867
Energy at 298.15K
HF Energy	-176.617867
Nuclear repulsion energy	55.697509

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	3482	3482	96.20	23.43	0.24	0.39
2	Σ	2324	2324	129.31	48.36	0.13	0.23
3	Σ	1086	1086	79.60	8.52	0.21	0.35
4	Π	621	621	50.51	0.95	0.75	0.86
4	Π	621	621	50.51	0.95	0.75	0.86
5	Π	415	415	1.00	9.52	0.75	0.86
5	Π	415	415	1.00	9.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.095
C2	0.000	0.000	-1.286
F3	0.000	0.000	1.182
H4	0.000	0.000	-2.346

	C1	C2	F3	H4
C1		1.1911	1.2773	2.2511
C2	1.1911		2.4684	1.0600
F3	1.2773	2.4684		3.5284
H4	2.2511	1.0600	3.5284

Number	Element	Mulliken
1	C	0.207
2	C	-0.265
3	F	-0.087
4	H	0.146

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B3LYPultrafine/cc-pCVTZ

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>	37.825
(<r²>)^1/2	6.150