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	hartrees
Energy at 0K	-176.413070
Energy at 298.15K
HF Energy	-176.413070
Nuclear repulsion energy	55.761540

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	3506	3364	85.97	21.10	0.27	0.42
2	Σ	2354	2259	128.81	39.66	0.19	0.33
3	Σ	1098	1054	86.83	7.97	0.23	0.38
4	Π	607	582	54.10	1.04	0.75	0.86
4	Π	607	582	54.10	1.04	0.75	0.86
5	Π	436	418	3.36	12.81	0.75	0.86
5	Π	436	418	3.36	12.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.093
C2	0.000	0.000	-1.286
F3	0.000	0.000	1.180
H4	0.000	0.000	-2.349

	C1	C2	F3	H4
C1		1.1931	1.2723	2.2564
C2	1.1931		2.4653	1.0633
F3	1.2723	2.4653		3.5287
H4	2.2564	1.0633	3.5287

Number	Element	Mulliken
1	C	0.124
2	C	-0.253
3	F	-0.130
4	H	0.258

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: HSEh1PBE/6-311G*

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>	37.671
(<r²>)^1/2	6.138