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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Nov-2016	s4-sol	Lang, Zhong Ling	vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex	Geometry optimization	-	-	-775.64886198; eV
15-Nov-2016	C3-gas	Lang, Zhong Ling	vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex	Geometry optimization	-	-	-768.98343454; eV
15-Nov-2016	C3-sol	Lang, Zhong Ling	vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex	Geometry optimization	-	-	-775.56729847; eV
15-Nov-2016	Facing-K-gas	Lang, Zhong Ling	vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex	Geometry optimization	-	-	-769.10130560; eV
15-Nov-2016	s4-gas	Lang, Zhong Ling	vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex	Geometry optimization	-	-	-768.81659083; eV
27-Feb-2017	facing-k-sol-freq	Lang, Zhong Ling	vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex	Frequencies	-	-	-775.19742746; eV
27-Feb-2017	facing-k-gas-freq	Lang, Zhong Ling	vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex	Frequencies	-	-	-769.10130255; eV
27-Feb-2017	C3-K-gas-freq	Lang, Zhong Ling	vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex	Frequencies	-	-	-769.27509098; eV
27-Feb-2017	facing-sol-freq	Lang, Zhong Ling	vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex	Frequencies	-	-	-775.17660472; eV
27-Feb-2017	S4-K-sol-freq	Lang, Zhong Ling	vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex	Frequencies	-	-	-775.91923317; eV

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