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	hartrees
Energy at 0K	-176.553933
Energy at 298.15K
HF Energy	-176.553933
Nuclear repulsion energy	55.792670

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	3502	3502	100.60	22.73	0.24	0.38
2	Σ	2368	2368	128.93	51.79	0.13	0.23
3	Σ	1108	1108	84.68	8.18	0.21	0.35
4	Π	658	658	51.47	1.26	0.75	0.86
4	Π	658	658	51.47	1.26	0.75	0.86
5	Π	450	450	0.54	8.55	0.75	0.86
5	Π	450	450	0.54	8.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.095
C2	0.000	0.000	-1.284
F3	0.000	0.000	1.180
H4	0.000	0.000	-2.345

	C1	C2	F3	H4
C1		1.1884	1.2752	2.2498
C2	1.1884		2.4636	1.0614
F3	1.2752	2.4636		3.5250
H4	2.2498	1.0614	3.5250

Number	Element	Mulliken
1	C	0.195
2	C	-0.211
3	F	-0.095
4	H	0.111

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: M06-2X/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>	37.713
(<r²>)^1/2	6.141