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	hartrees
Energy at 0K	-176.376720
Energy at 298.15K
HF Energy	-176.376720
Nuclear repulsion energy	55.405171

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	3526	3392	105.18	24.48	0.24	0.38
2	Σ	2357	2267	117.24	36.67	0.23	0.38
3	Σ	1100	1058	83.13	8.29	0.23	0.37
4	Π	628	604	45.37	0.24	0.75	0.86
4	Π	628	604	45.37	0.24	0.75	0.86
5	Π	423	407	1.75	11.32	0.75	0.86
5	Π	423	407	1.75	11.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.091
C2	0.000	0.000	-1.295
F3	0.000	0.000	1.187
H4	0.000	0.000	-2.365

	C1	C2	F3	H4
C1		1.2036	1.2780	2.2739
C2	1.2036		2.4817	1.0703
F3	1.2780	2.4817		3.5519
H4	2.2739	1.0703	3.5519

Number	Element	Mulliken
1	C	0.018
2	C	-0.019
3	F	-0.039
4	H	0.041

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: HSEh1PBE/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>	37.949
(<r²>)^1/2	6.160