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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-May-2019	tpssh-Ru-9-OOH-LS-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2059.19933430; Eh
	3-May-2019	Ru-1-O-dispersion	Craig, Michael	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1844.4275147; Eh
	3-May-2019	Ru-1-O-O-dimer-dispersion	Craig, Michael	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-3688.9174071; Eh
	3-May-2019	Ru-1-O-O-dimer-freq	Craig, Michael	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-3688.66724697; Eh
	3-May-2019	Ru-8-VAC-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2320.79553483; Eh
	3-May-2019	Ru-8-OH-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2396.60739850; Eh
	3-May-2019	Ru-8-OOH-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2471.75007429; Eh
	3-May-2019	Mn-12-OOH-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2070.53792650; Eh
	3-May-2019	Mn-12-VAC-octet-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1919.59469967; Eh
	16-Mar-2021	N1+_T_TZVP	Schön, Florian	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-

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