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	hartrees
Energy at 0K	-38.428981
Energy at 298.15K
HF Energy	-38.428981
Nuclear repulsion energy	2.789542

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.163
H2	0.000	0.000	-0.976

	C1	H2
C1		1.1382
H2	1.1382

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	-0.089
2	H	0.089

	x	y	z	Total
	0.000	0.000	-1.409	1.409
CHELPG
AIM
ESP

All results from a given calculation for CH (Methylidyne)

using model chemistry: PBEPBEultrafine/cc-pVTZ

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>	5.503
(<r²>)^1/2	2.346