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	hartrees
Energy at 0K	-176.555288
Energy at 298.15K
HF Energy	-176.555288
Nuclear repulsion energy	55.787582

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	3510	3510	99.47	23.62	0.22	0.37
2	Σ	2367	2367	133.61	61.12	0.09	0.17
3	Σ	1109	1109	86.68	8.52	0.20	0.34
4	Π	664	664	53.44	1.76	0.75	0.86
4	Π	664	664	53.44	1.76	0.75	0.86
5	Π	447	447	0.29	8.62	0.75	0.86
5	Π	447	447	0.29	8.62	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		1.1894	1.2746	2.2507
C2	1.1894		2.4639	1.0613
F3	1.2746	2.4639		3.5253
H4	2.2507	1.0613	3.5253

Number	Element	Mulliken
1	C	-0.024
2	C	-0.095
3	F	-0.129
4	H	0.248

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: M06-2X/Def2TZVPP

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>	37.737
(<r²>)^1/2	6.143