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	hartrees
Energy at 0K	-176.423933
Energy at 298.15K
HF Energy	-176.423933
Nuclear repulsion energy	55.313034

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	3414	3414	93.00	26.60	0.24	0.38
2	Σ	2259	2259	126.28	45.46	0.13	0.23
3	Σ	1065	1065	72.26	9.49	0.21	0.35
4	Π	566	566	46.70	0.21	0.75	0.86
4	Π	566	566	46.70	0.21	0.75	0.86
5	Π	374	374	3.16	9.56	0.75	0.86
5	Π	374	374	3.16	9.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.093
C2	0.000	0.000	-1.297
F3	0.000	0.000	1.189
H4	0.000	0.000	-2.365

	C1	C2	F3	H4
C1		1.2035	1.2826	2.2719
C2	1.2035		2.4861	1.0684
F3	1.2826	2.4861		3.5544
H4	2.2719	1.0684	3.5544

Number	Element	Mulliken
1	C	0.162
2	C	-0.281
3	F	-0.047
4	H	0.165

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: PBEPBEultrafine/cc-pCVTZ

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>	38.207
(<r²>)^1/2	6.181