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	hartrees
Energy at 0K	-176.453326
Energy at 298.15K
HF Energy	-176.453326
Nuclear repulsion energy	54.960309

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	3460	3430	87.78	28.08	0.24	0.39
2	Σ	2277	2258	111.32	34.01	0.24	0.39
3	Σ	1055	1046	76.32	9.11	0.23	0.37
4	Π	576	572	37.67	0.01	0.75	0.86
4	Π	576	572	37.67	0.01	0.75	0.86
5	Π	360	356	3.92	11.20	0.75	0.86
5	Π	360	356	3.92	11.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.092
C2	0.000	0.000	-1.306
F3	0.000	0.000	1.197
H4	0.000	0.000	-2.379

	C1	C2	F3	H4
C1		1.2136	1.2891	2.2869
C2	1.2136		2.5027	1.0733
F3	1.2891	2.5027		3.5760
H4	2.2869	1.0733	3.5760

Number	Element	Mulliken
1	C	0.020
2	C	0.005
3	F	-0.031
4	H	0.006

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B97D3/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>	38.385
(<r²>)^1/2	6.196