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	hartrees
Energy at 0K	-176.520481
Energy at 298.15K
HF Energy	-176.520481
Nuclear repulsion energy	55.400723

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	3444	3397	87.28	25.32	0.22	0.36
2	Σ	2265	2234	136.41	55.17	0.09	0.17
3	Σ	1060	1045	79.08	9.93	0.21	0.34
4	Π	574	566	48.70	0.63	0.75	0.86
4	Π	574	566	48.70	0.63	0.75	0.86
5	Π	363	358	3.41	11.20	0.75	0.86
5	Π	363	358	3.41	11.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.094
C2	0.000	0.000	-1.295
F3	0.000	0.000	1.188
H4	0.000	0.000	-2.359

	C1	C2	F3	H4
C1		1.2012	1.2813	2.2655
C2	1.2012		2.4824	1.0644
F3	1.2813	2.4824		3.5468
H4	2.2655	1.0644	3.5468

Number	Element	Mulliken
1	C	0.071
2	C	-0.141
3	F	-0.111
4	H	0.181

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B97D3/Def2TZVPP

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>	38.126
(<r²>)^1/2	6.175