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	hartrees
Energy at 0K	-176.440404
Energy at 298.15K
HF Energy	-176.440404
Nuclear repulsion energy	55.830300

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	3495	3495	102.55	21.91	0.29	0.45
2	Σ	2341	2341	145.92	89.23	0.03	0.05
3	Σ	1105	1105	84.40	10.10	0.17	0.29
4	Π	623	623	50.09	1.06	0.75	0.86
4	Π	623	623	50.09	1.06	0.75	0.86
5	Π	426	426	0.34	6.26	0.75	0.86
5	Π	426	426	0.34	6.26	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	1.178
H4	0.000	0.000	-2.346

	C1	C2	F3	H4
C1		1.1912	1.2711	2.2529
C2	1.1912		2.4623	1.0617
F3	1.2711	2.4623		3.5240
H4	2.2529	1.0617	3.5240

Number	Element	Mulliken
1	C	0.326
2	C	-0.610
3	F	-0.186
4	H	0.470

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: HSEh1PBE/aug-cc-pCVTZ

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>	37.716
(<r²>)^1/2	6.141