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	hartrees
Energy at 0K	-176.492334
Energy at 298.15K
HF Energy	-176.492334
Nuclear repulsion energy	55.389317

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	3523	3523	111.52	25.60	0.24	0.39
2	Σ	2379	2379	110.59	37.49	0.23	0.38
3	Σ	1106	1106	87.56	7.50	0.23	0.38
4	Π	663	663	46.37	0.34	0.75	0.86
4	Π	663	663	46.37	0.34	0.75	0.86
5	Π	443	443	1.02	10.50	0.75	0.86
5	Π	443	443	1.02	10.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.093
C2	0.000	0.000	-1.294
F3	0.000	0.000	1.188
H4	0.000	0.000	-2.365

	C1	C2	F3	H4
C1		1.2016	1.2804	2.2720
C2	1.2016		2.4820	1.0705
F3	1.2804	2.4820		3.5524
H4	2.2720	1.0705	3.5524

Number	Element	Mulliken
1	C	0.021
2	C	0.005
3	F	-0.060
4	H	0.034

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: M06-2X/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>	37.985
(<r²>)^1/2	6.163