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	hartrees
Energy at 0K	-176.552336
Energy at 298.15K
HF Energy	-176.552336
Nuclear repulsion energy	55.868955

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	3503	3349	99.14	19.74	0.33	0.50
2	Σ	2352	2248	138.52	50.97	0.13	0.24
3	Σ	1105	1056	84.65	8.33	0.22	0.36
4	Π	638	609	53.69	1.36	0.75	0.86
4	Π	638	609	53.69	1.36	0.75	0.86
5	Π	437	417	0.69	9.52	0.75	0.86
5	Π	437	417	0.69	9.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.093
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		1.1893	1.2712	2.2496
C2	1.1893		2.4605	1.0603
F3	1.2712	2.4605		3.5208
H4	2.2496	1.0603	3.5208

Number	Element	Mulliken
1	C	0.126
2	C	-0.224
3	F	-0.063
4	H	0.161

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: wB97X-D/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>	37.571
(<r²>)^1/2	6.129