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	hartrees
Energy at 0K	-176.554613
Energy at 298.15K
HF Energy	-176.554613
Nuclear repulsion energy	55.868901

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	3500	3348	99.43	21.87	0.30	0.46
2	Σ	2348	2246	145.71	94.22	0.02	0.05
3	Σ	1104	1056	86.51	9.84	0.17	0.29
4	Π	638	610	51.50	1.37	0.75	0.86
4	Π	638	610	51.50	1.37	0.75	0.86
5	Π	436	417	0.06	5.90	0.75	0.86
5	Π	436	417	0.06	5.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.094
C2	0.000	0.000	-1.283
F3	0.000	0.000	1.178
H4	0.000	0.000	-2.343

	C1	C2	F3	H4
C1		1.1891	1.2714	2.2495
C2	1.1891		2.4605	1.0603
F3	1.2714	2.4605		3.5208
H4	2.2495	1.0603	3.5208

Number	Element	Mulliken
1	C	0.594
2	C	-0.693
3	F	-0.276
4	H	0.375

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: wB97X-D/aug-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>	37.631
(<r²>)^1/2	6.134