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	hartrees
Energy at 0K	-176.346243
Energy at 298.15K
HF Energy	-176.346243
Nuclear repulsion energy	54.958876

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	3450	3403	88.94	29.71	0.20	0.33
2	Σ	2282	2251	97.88	28.27	0.25	0.40
3	Σ	1072	1057	65.04	9.65	0.23	0.38
4	Π	550	543	38.48	0.26	0.75	0.86
4	Π	550	543	38.48	0.26	0.75	0.86
5	Π	333	328	7.60	10.84	0.75	0.86
5	Π	333	328	7.60	10.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.093
C2	0.000	0.000	-1.306
F3	0.000	0.000	1.197
H4	0.000	0.000	-2.377

	C1	C2	F3	H4
C1		1.2129	1.2902	2.2836
C2	1.2129		2.5031	1.0708
F3	1.2902	2.5031		3.5739
H4	2.2836	1.0708	3.5739

Number	Element	Mulliken
1	C	0.081
2	C	-0.088
3	F	-0.152
4	H	0.159

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: PBEPBE/6-31G**

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>	38.239
(<r²>)^1/2	6.184