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	hartrees
Energy at 0K	-176.492376
Energy at 298.15K
HF Energy	-176.311261
Nuclear repulsion energy	55.640494

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	3499	3499	96.92	24.59	0.24	0.39
2	Σ	2289	2289	136.90	71.25	0.04	0.08
3	Σ	1080	1080	79.21	9.86	0.18	0.30
4	Π	609	609	48.96	1.09	0.75	0.86
4	Π	609	609	48.96	1.09	0.75	0.86
5	Π	408	408	0.96	6.65	0.75	0.86
5	Π	408	408	0.96	6.65	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.093
C2	0.000	0.000	-1.289
F3	0.000	0.000	1.183
H4	0.000	0.000	-2.349

	C1	C2	F3	H4
C1		1.1960	1.2758	2.2554
C2	1.1960		2.4718	1.0593
F3	1.2758	2.4718		3.5312
H4	2.2554	1.0593	3.5312

Number	Element	Mulliken
1	C	0.303
2	C	-0.220
3	F	-0.321
4	H	0.238

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B2PLYP/6-311+G(3df,2p)

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>	38.006
(<r²>)^1/2	6.165