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	hartrees
Energy at 0K	-176.625567
Energy at 298.15K
HF Energy	-176.625567
Nuclear repulsion energy	55.628827

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	3480	3480	94.98	24.27	0.29	0.45
2	Σ	2303	2303	141.92	89.34	0.03	0.05
3	Σ	1077	1077	82.07	10.45	0.18	0.31
4	Π	603	603	48.17	0.66	0.75	0.86
4	Π	603	603	48.17	0.66	0.75	0.86
5	Π	389	389	1.28	6.74	0.75	0.86
5	Π	389	389	1.28	6.74	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	1.183
H4	0.000	0.000	-2.349

	C1	C2	F3	H4
C1		1.1938	1.2779	2.2546
C2	1.1938		2.4717	1.0608
F3	1.2779	2.4717		3.5326
H4	2.2546	1.0608	3.5326

Number	Element	Mulliken
1	C	0.471
2	C	-0.942
3	F	-0.246
4	H	0.716

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: TPSSh/aug-cc-pVQZ

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>	37.897
(<r²>)^1/2	6.156