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Title	Author(s)	Program	Method(s)	Basis Set	Energy
_1_Optimization_and_incomplete_frequencies	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-5546.11310567; Eh
_2_Optimization_and_Frequencies_part4	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-5546.14636148; Eh
_2_Optimization_and_Frequencies_part2	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-5546.14639114; Eh
_1_Optimization_and_Frequencies_part1	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	-	D95(d); SDD	-5546.13533497; Eh
_2_Optimization_and_Frequencies_part3	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-5546.14639183; Eh
_1_Optimization_and_Frequencies_part2	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	-	D95(d); SDD	-5546.13344183; Eh
_1_Optimization_and_Frequencies_part3	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	-	D95(d); SDD	-5546.14232152; Eh
_2_Optimization_and_Frequencies_part1	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-5546.14639114; Eh
_2constrained_Optimization	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-5546.07111349; Eh
_1constrained_Optimization	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-5546.13504912; Eh
_2_Optimization_and_Frequencies_part3	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-5546.14716548; Eh
_2_Optimization_and_Frequencies_part1	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	-	D95(d); SDD	-5546.14260271; Eh
_2_Optimization_and_Frequencies_part2	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-5546.14716548; Eh
_1_Optimization_and_Frequencies_part3	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-5546.14293495; Eh
_1_stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-5546.14293495; Eh
_2_Stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-5546.14718331; Eh
_1_Optimization_and_Frequencies_part2	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-5546.14293477; Eh
_2_Optimization_and_Frequencies_part5	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-5546.14718332; Eh
_1_Optimization_and_Frequencies_part1	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-5546.14293477; Eh
_2_Optimization_and_Frequencies_part4	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-5546.14718331; Eh
DFT_stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-4259.64360060; Eh
Optimization_and_Frequencies_part_1	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-4259.64360019; Eh
Optimization_and_Frequencies_part_2	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	RPBE1PBE	D95(d); SDD	-4259.64360059; Eh