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	hartrees
Energy at 0K	-176.346293
Energy at 298.15K
HF Energy	-176.346293
Nuclear repulsion energy	55.489313

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	3540	3364	89.05	25.47	0.20	0.33
2	Σ	2374	2256	106.16	31.12	0.25	0.40
3	Σ	1114	1059	74.09	8.67	0.23	0.37
4	Π	611	581	47.50	0.06	0.75	0.86
4	Π	611	581	47.50	0.06	0.75	0.86
5	Π	404	384	4.46	11.96	0.75	0.86
5	Π	404	384	4.46	11.96	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.093
C2	0.000	0.000	-1.292
F3	0.000	0.000	1.186
H4	0.000	0.000	-2.358

	C1	C2	F3	H4
C1		1.1995	1.2786	2.2647
C2	1.1995		2.4781	1.0651
F3	1.2786	2.4781		3.5433
H4	2.2647	1.0651	3.5433

Number	Element	Mulliken
1	C	0.108
2	C	-0.158
3	F	-0.181
4	H	0.231

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: PBE1PBE/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>	37.691
(<r²>)^1/2	6.139