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	hartrees
Energy at 0K	-176.553526
Energy at 298.15K
HF Energy	-176.553526
Nuclear repulsion energy	55.794132

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	3499	3499	103.36	21.70	0.29	0.45
2	Σ	2366	2366	134.66	92.50	0.03	0.05
3	Σ	1108	1108	86.14	9.42	0.17	0.30
4	Π	662	662	48.76	1.22	0.75	0.86
4	Π	662	662	48.76	1.22	0.75	0.86
5	Π	446	446	0.08	5.59	0.75	0.86
5	Π	446	446	0.08	5.59	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		1.1885	1.2750	2.2496
C2	1.1885		2.4636	1.0611
F3	1.2750	2.4636		3.5247
H4	2.2496	1.0611	3.5247

Number	Element	Mulliken
1	C	0.716
2	C	-0.785
3	F	-0.769
4	H	0.837

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: M06-2X/daug-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>	37.767
(<r²>)^1/2	6.145