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	hartrees
Energy at 0K	-176.549369
Energy at 298.15K
HF Energy	-176.549369
Nuclear repulsion energy	55.927972

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	3488	3488	99.68	21.41	0.27	0.43
2	Σ	2347	2347	146.85	81.80	0.04	0.08
3	Σ	1108	1108	86.57	9.55	0.18	0.30
4	Π	640	640	54.05	1.65	0.75	0.86
4	Π	640	640	54.05	1.65	0.75	0.86
5	Π	449	449	0.09	6.08	0.75	0.86
5	Π	449	449	0.09	6.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.092
C2	0.000	0.000	-1.281
F3	0.000	0.000	1.176
H4	0.000	0.000	-2.343

	C1	C2	F3	H4
C1		1.1890	1.2687	2.2504
C2	1.1890		2.4577	1.0613
F3	1.2687	2.4577		3.5190
H4	2.2504	1.0613	3.5190

Number	Element	Mulliken
1	C	0.224
2	C	-0.148
3	F	-0.297
4	H	0.220

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: wB97X-D/6-311+G(3df,2p)

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>	37.602
(<r²>)^1/2	6.132