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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
12-Jun-2019	/OPTFREQ A5P_EXO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4020.20816382; Eh
12-Jun-2019	/OPTFREQ A1	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-3674.24208463; Eh
12-Jun-2019	/OPTFREQ PRODUCT_3AAP	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	-	-1531.07226131; Eh
12-Jun-2019	/OPTFREQ A3P	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-3674.27944959; Eh
12-Jun-2019	/OPTFREQ B1	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-3674.31541676; Eh
12-Jun-2019	/SPE A3PP_EXO	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.5368661; Eh

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