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	hartrees
Energy at 0K	-176.553064
Energy at 298.15K
HF Energy	-176.553064
Nuclear repulsion energy	55.824681

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	3503	3346	106.32	20.40	0.19	0.32
2	Σ	2359	2252	141.27	56.62	0.12	0.21
3	Σ	1102	1053	91.59	8.26	0.21	0.35
4	Π	632	604	60.32	2.99	0.75	0.86
4	Π	632	604	60.32	2.99	0.75	0.86
5	Π	419	400	1.45	15.05	0.75	0.86
5	Π	419	400	1.45	15.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.093
C2	0.000	0.000	-1.284
F3	0.000	0.000	1.179
H4	0.000	0.000	-2.346

	C1	C2	F3	H4
C1		1.1904	1.2720	2.2524
C2	1.1904		2.4624	1.0620
F3	1.2720	2.4624		3.5244
H4	2.2524	1.0620	3.5244

Number	Element	Mulliken
1	C	0.195
2	C	-0.266
3	F	-0.131
4	H	0.202

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: wB97X-D/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>	37.702
(<r²>)^1/2	6.140