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	hartrees
Energy at 0K	-176.527285
Energy at 298.15K
HF Energy	-176.527285
Nuclear repulsion energy	55.444000

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	3439	3439	88.12	24.72	0.29	0.45
2	Σ	2260	2260	143.59	91.79	0.02	0.04
3	Σ	1056	1056	80.31	10.79	0.19	0.32
4	Π	570	570	46.01	0.49	0.75	0.86
4	Π	570	570	46.01	0.49	0.75	0.86
5	Π	362	362	2.10	7.00	0.75	0.86
5	Π	362	362	2.10	7.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.094
C2	0.000	0.000	-1.294
F3	0.000	0.000	1.187
H4	0.000	0.000	-2.357

	C1	C2	F3	H4
C1		1.1999	1.2806	2.2634
C2	1.1999		2.4804	1.0636
F3	1.2806	2.4804		3.5440
H4	2.2634	1.0636	3.5440

Number	Element	Mulliken
1	C	0.550
2	C	-0.709
3	F	-0.348
4	H	0.506

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B97D3/aug-cc-pVQZ

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>	38.128
(<r²>)^1/2	6.175