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	hartrees
Energy at 0K	-176.396310
Energy at 298.15K
HF Energy	-176.252064
Nuclear repulsion energy	55.070553

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	3529	3361	96.11	26.85	0.22	0.36
2	Σ	2293	2184	121.64	55.26	0.07	0.14
3	Σ	1068	1017	81.26	9.16	0.22	0.36
4	Π	587	559	58.72	1.73	0.75	0.86
4	Π	587	559	58.72	1.73	0.75	0.86
5	Π	380	362	4.00	16.13	0.75	0.86
5	Π	380	362	4.00	16.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.096
C2	0.000	0.000	-1.303
F3	0.000	0.000	1.196
H4	0.000	0.000	-2.365

	C1	C2	F3	H4
C1		1.2063	1.2921	2.2687
C2	1.2063		2.4984	1.0624
F3	1.2921	2.4984		3.5608
H4	2.2687	1.0624	3.5608

Number	Element	Mulliken
1	C	-0.037
2	C	0.134
3	F	-0.318
4	H	0.220

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B2PLYP/6-31+G**

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>	38.614
(<r²>)^1/2	6.214