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	hartrees
Energy at 0K	-174.178730
Energy at 298.15K
HF Energy	-174.178730
Nuclear repulsion energy	54.232529

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	3699	3699	161.08	24.58	0.28	0.44
2	Σ	2481	2481	17.22	13.89	0.29	0.45
3	Σ	1100	1100	14.79	5.83	0.26	0.41
4	Π	626	626	19.80	0.40	0.75	0.86
4	Π	626	626	19.80	0.40	0.75	0.86
5	Π	340	340	3.08	3.45	0.75	0.86
5	Π	340	340	3.08	3.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.110
C2	0.000	0.000	-1.317
F3	0.000	0.000	1.218
H4	0.000	0.000	-2.395

	C1	C2	F3	H4
C1		1.2068	1.3279	2.2845
C2	1.2068		2.5347	1.0777
F3	1.3279	2.5347		3.6125
H4	2.2845	1.0777	3.6125

Number	Element	Mulliken
1	C	0.032
2	C	-0.148
3	F	0.000
4	H	0.116

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: TPSSh/STO-3G

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>	38.182
(<r²>)^1/2	6.179