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	hartrees
Energy at 0K	-176.564431
Energy at 298.15K
HF Energy	-176.564431
Nuclear repulsion energy	55.156797

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	3492	3378	95.37	26.54	0.28	0.44
2	Σ	2305	2230	133.01	84.76	0.03	0.06
3	Σ	1062	1028	79.91	10.61	0.18	0.31
4	Π	555	537	46.24	0.23	0.75	0.86
4	Π	555	537	46.24	0.23	0.75	0.86
5	Π	348	337	4.56	8.25	0.75	0.86
5	Π	348	337	4.56	8.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.094
C2	0.000	0.000	-1.301
F3	0.000	0.000	1.193
H4	0.000	0.000	-2.369

	C1	C2	F3	H4
C1		1.2065	1.2870	2.2750
C2	1.2065		2.4935	1.0685
F3	1.2870	2.4935		3.5620
H4	2.2750	1.0685	3.5620

Number	Element	Mulliken
1	C	-0.103
2	C	0.850
3	F	-0.364
4	H	-0.383

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: TPSSh/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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<r²>	38.416
(<r²>)^1/2	6.198