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	hartrees
Energy at 0K	-176.490834
Energy at 298.15K
HF Energy	-176.490834
Nuclear repulsion energy	55.424970

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	3512	3345	98.96	22.54	0.23	0.38
2	Σ	2352	2240	134.87	64.97	0.08	0.15
3	Σ	1098	1045	89.07	8.91	0.22	0.36
4	Π	634	604	66.22	3.54	0.75	0.86
4	Π	634	604	66.22	3.54	0.75	0.86
5	Π	432	411	0.90	15.13	0.75	0.86
5	Π	432	411	0.90	15.13	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	-2.358

	C1	C2	F3	H4
C1		1.1992	1.2817	2.2641
C2	1.1992		2.4810	1.0648
F3	1.2817	2.4810		3.5458
H4	2.2641	1.0648	3.5458

Number	Element	Mulliken
1	C	-0.127
2	C	0.181
3	F	-0.298
4	H	0.243

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: wB97X-D/6-31+G**

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