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	hartrees
Energy at 0K	-176.551379
Energy at 298.15K
HF Energy	-176.551379
Nuclear repulsion energy	55.233946

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	3502	3397	99.63	26.25	0.25	0.39
2	Σ	2331	2261	109.50	35.37	0.24	0.38
3	Σ	1081	1048	79.46	8.31	0.23	0.37
4	Π	624	605	41.87	0.12	0.75	0.86
4	Π	624	605	41.87	0.12	0.75	0.86
5	Π	406	394	1.50	11.14	0.75	0.86
5	Π	406	394	1.50	11.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.093
C2	0.000	0.000	-1.298
F3	0.000	0.000	1.191
H4	0.000	0.000	-2.369

	C1	C2	F3	H4
C1		1.2052	1.2843	2.2755
C2	1.2052		2.4895	1.0703
F3	1.2843	2.4895		3.5599
H4	2.2755	1.0703	3.5599

Number	Element	Mulliken
1	C	0.011
2	C	0.015
3	F	-0.037
4	H	0.012

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B3LYPultrafine/cc-pVDZ

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>	38.135
(<r²>)^1/2	6.175