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	hartrees
Energy at 0K	-176.498201
Energy at 298.15K
HF Energy	-176.498201
Nuclear repulsion energy	54.335259

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	3536	3402	79.23	32.00	0.18	0.30
2	Σ	2304	2217	57.27	29.47	0.25	0.40
3	Σ	1017	978	49.10	9.22	0.25	0.40
4	Π	633	609	56.30	0.54	0.75	0.86
4	Π	633	609	56.30	0.54	0.75	0.86
5	Π	330	318	2.39	13.24	0.75	0.86
5	Π	330	318	2.39	13.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.110
C2	0.000	0.000	-1.317
F3	0.000	0.000	1.216
H4	0.000	0.000	-2.379

	C1	C2	F3	H4
C1		1.2073	1.3254	2.2696
C2	1.2073		2.5327	1.0623
F3	1.3254	2.5327		3.5950
H4	2.2696	1.0623	3.5950

Number	Element	Mulliken
1	C	0.026
2	C	-0.019
3	F	-0.264
4	H	0.256

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: TPSSh/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>	39.026
(<r²>)^1/2	6.247