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	hartrees
Energy at 0K	-176.614306
Energy at 298.15K
HF Energy	-176.614306
Nuclear repulsion energy	55.681027

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	3491	3374	97.15	21.34	0.33	0.50
2	Σ	2324	2247	129.50	47.49	0.13	0.24
3	Σ	1085	1049	80.24	8.50	0.22	0.36
4	Π	618	598	51.09	0.94	0.75	0.86
4	Π	618	598	51.09	0.94	0.75	0.86
5	Π	413	399	1.17	9.75	0.75	0.86
5	Π	413	399	1.17	9.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.095
C2	0.000	0.000	-1.287
F3	0.000	0.000	1.182
H4	0.000	0.000	-2.347

	C1	C2	F3	H4
C1		1.1916	1.2777	2.2512
C2	1.1916		2.4693	1.0596
F3	1.2777	2.4693		3.5289
H4	2.2512	1.0596	3.5289

Number	Element	Mulliken
1	C	0.112
2	C	-0.213
3	F	-0.074
4	H	0.175

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B3LYP/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>	37.849
(<r²>)^1/2	6.152