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	hartrees
Energy at 0K	-173.992744
Energy at 298.15K
HF Energy	-173.992744
Nuclear repulsion energy	54.492359

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	3744	3306	171.99	22.14	0.28	0.44
2	Σ	2531	2235	15.90	14.42	0.29	0.45
3	Σ	1121	990	16.08	5.36	0.26	0.41
4	Π	677	598	22.43	0.14	0.75	0.86
4	Π	677	598	22.43	0.14	0.75	0.86
5	Π	391	345	2.00	3.73	0.75	0.86
5	Π	391	345	2.00	3.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.110
C2	0.000	0.000	-1.311
F3	0.000	0.000	1.212
H4	0.000	0.000	-2.385

	C1	C2	F3	H4
C1		1.2009	1.3213	2.2757
C2	1.2009		2.5223	1.0747
F3	1.3213	2.5223		3.5970
H4	2.2757	1.0747	3.5970

Number	Element	Mulliken
1	C	0.041
2	C	-0.154
3	F	-0.011
4	H	0.124

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: HSEh1PBE/STO-3G

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>	37.897
(<r²>)^1/2	6.156