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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
11-Apr-2017	/NiCo2P2/freq 4B4	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-639.21144476; eV
11-Apr-2017	/NiCo2P2/freq BNH6	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-624.35009694; eV
17-Oct-2016	/Dimer/Al_H_I/Insertion/Int2 Int2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2696.44016419; Eh
11-Apr-2017	/NiCo2P2/freq H_hollow	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-590.05499587; eV
11-Apr-2017	/NiCo2P2/freq h2o_2_is	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-608.19720371; eV
11-Apr-2017	/NiCo2P2/opt ts_7b6b	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-633.32618490; eV
11-Apr-2017	/NiCo2P2/freq H_top	Li, Qiang	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Frequencies	-	-	-588.69224778; eV
11-Apr-2017	/NiCo2P2/freq 3B4	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-638.73632840; eV
11-Apr-2017	/NiCo2P2/freq H2O	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-600.53564113; eV
11-Apr-2017	/NiCo2P2/freq H2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-593.30511964; eV

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