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	hartrees
Energy at 0K	-176.610477
Energy at 298.15K
HF Energy	-176.610477
Nuclear repulsion energy	55.592462

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	3487	3377	95.29	23.00	0.33	0.50
2	Σ	2311	2238	131.74	47.57	0.13	0.23
3	Σ	1081	1047	79.02	9.13	0.22	0.36
4	Π	602	583	48.92	0.41	0.75	0.86
4	Π	602	583	48.92	0.41	0.75	0.86
5	Π	392	380	2.80	9.93	0.75	0.86
5	Π	392	380	2.80	9.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.095
C2	0.000	0.000	-1.289
F3	0.000	0.000	1.184
H4	0.000	0.000	-2.351

	C1	C2	F3	H4
C1		1.1947	1.2787	2.2559
C2	1.1947		2.4734	1.0611
F3	1.2787	2.4734		3.5346
H4	2.2559	1.0611	3.5346

Number	Element	Mulliken
1	C	0.140
2	C	-0.224
3	F	-0.062
4	H	0.146

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: TPSSh/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>	37.854
(<r²>)^1/2	6.153