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	hartrees
Energy at 0K	-176.620092
Energy at 298.15K
HF Energy	-176.620092
Nuclear repulsion energy	55.678022

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	3481	3481	99.01	22.36	0.30	0.46
2	Σ	2318	2318	141.60	90.02	0.03	0.05
3	Σ	1083	1083	84.06	9.92	0.18	0.31
4	Π	617	617	49.15	1.12	0.75	0.86
4	Π	617	617	49.15	1.12	0.75	0.86
5	Π	409	409	0.33	6.48	0.75	0.86
5	Π	409	409	0.33	6.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.096
C2	0.000	0.000	-1.287
F3	0.000	0.000	1.182
H4	0.000	0.000	-2.347

	C1	C2	F3	H4
C1		1.1914	1.2779	2.2515
C2	1.1914		2.4693	1.0601
F3	1.2779	2.4693		3.5294
H4	2.2515	1.0601	3.5294

Number	Element	Mulliken
1	C	0.379
2	C	-0.618
3	F	-0.221
4	H	0.460

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B3LYP/aug-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>	37.945
(<r²>)^1/2	6.160