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	hartrees
Energy at 0K	-176.548336
Energy at 298.15K
HF Energy	-176.548336
Nuclear repulsion energy	55.752405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	0	1	1	0.00
1	0_.84			0.00
1	-_0.02			0.00
1	0			0.00
1	0			-0.26
1	0			0.57
1	0			0.03
1	0			0.00
1	0			0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.093
C2	0.000	0.000	-1.286
F3	0.000	0.000	1.180
H4	0.000	0.000	-2.348

	C1	C2	F3	H4
C1		1.1931	1.2729	2.2550
C2	1.1931		2.4660	1.0619
F3	1.2729	2.4660		3.5279
H4	2.2550	1.0619	3.5279

Number	Element	Mulliken
1	C	0.047
2	C	-0.158
3	F	-0.119
4	H	0.229

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B3PW91/Def2TZVPP

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>	37.737
(<r²>)^1/2	6.143