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	hartrees
Energy at 0K	-176.566996
Energy at 298.15K
HF Energy	-176.566996
Nuclear repulsion energy	55.927203

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	3492	3492	98.54	21.52	0.24	0.39
2	Σ	2347	2347	144.36	64.39	0.07	0.14
3	Σ	1104	1104	85.79	9.25	0.19	0.32
4	Π	639	639	53.48	1.35	0.75	0.86
4	Π	639	639	53.48	1.35	0.75	0.86
5	Π	436	436	0.27	7.58	0.75	0.86
5	Π	436	436	0.27	7.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.093
C2	0.000	0.000	-1.281
F3	0.000	0.000	1.176
H4	0.000	0.000	-2.342

	C1	C2	F3	H4
C1		1.1884	1.2694	2.2489
C2	1.1884		2.4578	1.0605
F3	1.2694	2.4578		3.5183
H4	2.2489	1.0605	3.5183

Number	Element	Mulliken
1	C	0.320
2	C	-0.299
3	F	-0.139
4	H	0.118

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: wB97X-D/cc-pVQZ

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>	37.542
(<r²>)^1/2	6.127