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	hartrees
Energy at 0K	-176.359935
Energy at 298.15K
HF Energy	-176.359935
Nuclear repulsion energy	54.880810

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	3424	97.43	28.45	0.24	0.39
2	Σ	2270	2257	107.17	33.15	0.24	0.39
3	Σ	1060	1054	72.27	9.22	0.23	0.37
4	Π	570	567	39.44	0.02	0.75	0.86
4	Π	570	567	39.44	0.02	0.75	0.86
5	Π	368	365	3.34	10.74	0.75	0.86
5	Π	368	365	3.34	10.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.091
C2	0.000	0.000	-1.308
F3	0.000	0.000	1.198
H4	0.000	0.000	-2.385

	C1	C2	F3	H4
C1		1.2166	1.2896	2.2935
C2	1.2166		2.5062	1.0769
F3	1.2896	2.5062		3.5831
H4	2.2935	1.0769	3.5831

Number	Element	Mulliken
1	C	-0.009
2	C	0.003
3	F	-0.010
4	H	0.015

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: PBEPBE/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>	38.500
(<r²>)^1/2	6.205