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	hartrees
Energy at 0K	-176.464782
Energy at 298.15K
HF Energy	-176.464782
Nuclear repulsion energy	54.952295

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	3447	3447	88.62	26.42	0.28	0.43
2	Σ	2263	2263	135.72	85.34	0.03	0.06
3	Σ	1041	1041	79.01	10.94	0.20	0.33
4	Π	520	520	42.68	0.09	0.75	0.86
4	Π	520	520	42.68	0.09	0.75	0.86
5	Π	308	308	7.00	8.76	0.75	0.86
5	Π	308	308	7.00	8.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.093
C2	0.000	0.000	-1.306
F3	0.000	0.000	1.197
H4	0.000	0.000	-2.378

	C1	C2	F3	H4
C1		1.2129	1.2903	2.2846
C2	1.2129		2.5032	1.0717
F3	1.2903	2.5032		3.5750
H4	2.2846	1.0717	3.5750

Number	Element	Mulliken
1	C	-0.160
2	C	0.959
3	F	-0.347
4	H	-0.453

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B97D3/aug-cc-pVDZ

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>	38.679
(<r²>)^1/2	6.219