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	hartrees
Energy at 0K	-176.420397
Energy at 298.15K
HF Energy	-176.264398
Nuclear repulsion energy	55.037050

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	3374	98.26	26.50	0.24	0.39
2	Σ	2280	2194	125.98	73.71	0.04	0.07
3	Σ	1054	1014	77.32	10.14	0.18	0.31
4	Π	551	530	45.45	0.30	0.75	0.86
4	Π	551	530	45.45	0.30	0.75	0.86
5	Π	355	341	3.82	8.06	0.75	0.86
5	Π	355	341	3.82	8.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.093
C2	0.000	0.000	-1.304
F3	0.000	0.000	1.195
H4	0.000	0.000	-2.373

	C1	C2	F3	H4
C1		1.2109	1.2887	2.2794
C2	1.2109		2.4996	1.0685
F3	1.2887	2.4996		3.5681
H4	2.2794	1.0685	3.5681

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

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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