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	hartrees
Energy at 0K	-176.611070
Energy at 298.15K
HF Energy	-176.611070
Nuclear repulsion energy	55.542082

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	3491	3364	100.89	24.06	0.20	0.33
2	Σ	2316	2232	135.07	52.10	0.12	0.21
3	Σ	1079	1040	85.29	9.09	0.22	0.36
4	Π	600	578	54.55	1.35	0.75	0.86
4	Π	600	578	54.55	1.35	0.75	0.86
5	Π	371	357	4.21	16.06	0.75	0.86
5	Π	371	357	4.21	16.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.095
C2	0.000	0.000	-1.291
F3	0.000	0.000	1.185
H4	0.000	0.000	-2.353

	C1	C2	F3	H4
C1		1.1959	1.2798	2.2580
C2	1.1959		2.4757	1.0620
F3	1.2798	2.4757		3.5377
H4	2.2580	1.0620	3.5377

Number	Element	Mulliken
1	C	0.190
2	C	-0.247
3	F	-0.118
4	H	0.174

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: TPSSh/TZVP

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>	37.988
(<r²>)^1/2	6.163