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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-May-2019	Ru-2-VAC-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1801.39498429; Eh
	3-May-2019	Ru-9-VAC-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1908.24207322; Eh
	3-May-2019	Ru-3-VAC-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1540.69336406; Eh
	3-May-2019	Ni-17-VAC-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2305.35690425; Eh
	3-May-2019	Fe-13-OH-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2495.79109798; Eh
	3-May-2019	Ru-2-VAC	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1801.39498429; Eh
	3-May-2019	Ru-3-VAC	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1540.69336406; Eh
	3-May-2019	Ru-6-VAC	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1363.78727790; Eh
	3-May-2019	Ru-1-VAC-freq-dispf	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1769.36475680; Eh
	3-May-2019	Co-16-OH-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1765.12275708; Eh

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