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	hartrees
Energy at 0K	-176.506668
Energy at 298.15K
HF Energy	-176.313795
Nuclear repulsion energy	55.631778

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	3516	3359	94.94	22.70	0.31	0.48
2	Σ	2301	2198	125.61	41.80	0.13	0.24
3	Σ	1083	1035	75.85	8.46	0.22	0.36
4	Π	610	583	48.87	0.70	0.75	0.86
4	Π	610	583	48.87	0.70	0.75	0.86
5	Π	404	386	1.90	9.46	0.75	0.86
5	Π	404	386	1.90	9.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.094
C2	0.000	0.000	-1.290
F3	0.000	0.000	1.183
H4	0.000	0.000	-2.346

	C1	C2	F3	H4
C1		1.1955	1.2771	2.2522
C2	1.1955		2.4726	1.0567
F3	1.2771	2.4726		3.5293
H4	2.2522	1.0567	3.5293

Number	Element	Mulliken
1	C	0.104
2	C	-0.226
3	F	-0.073
4	H	0.195

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B2PLYP=FULLultrafine/cc-pVTZ

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>	37.908
(<r²>)^1/2	6.157