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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
31-Jan-2017	_1-2_transition_state_Optimization_and_Frequencies_part1	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-1568.60225803; Eh
31-Jan-2017	_1-2_transition_state_Optimization_and_Frequencies_part2	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-1568.60218870; Eh
31-Jan-2017	_1_def2TZVP_single_point_only	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-5758.39933110; Eh
31-Jan-2017	_1_def2TZVP_singlepoint	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-5758.37361549; Eh
31-Jan-2017	_1_def2TZVP_singlepoint	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-1568.91473752; Eh
31-Jan-2017	_1_Optimization_and_Frequencies	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	-	-1568.57414990; Eh
31-Jan-2017	_1_Optimization_and_Frequencies	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	-	-1568.60524371; Eh
31-Jan-2017	_1_Optimization_and_Frequencies	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	-	-1298.49164836; Eh
31-Jan-2017	_1_Optimization_and_Frequencies_part1	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	D95(d); SDD	-5546.13533497; Eh
31-Jan-2017	_1_Optimization_and_Frequencies_part1	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	D95(d); SDD	-5546.14293477; Eh
31-Jan-2017	_1_Optimization_and_Frequencies_part2	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	-	-1298.49164834; Eh
31-Jan-2017	_1_Optimization_and_Frequencies_part2	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	D95(d); SDD	-5546.13344183; Eh
31-Jan-2017	_1_Optimization_and_Frequencies_part2	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	D95(d); SDD	-5546.14293477; Eh
31-Jan-2017	_1_Optimization_and_Frequencies_part3	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	D95(d); SDD	-5546.14232152; Eh
31-Jan-2017	_1_Optimization_and_Frequencies_part3	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	D95(d); SDD	-5546.14293495; Eh
31-Jan-2017	_1_Optimization_and_Frequencies_part4	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-5546.14230805; Eh
31-Jan-2017	_1_Optimization_and_Frequencies_part5	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-5546.12246115; Eh
31-Jan-2017	_1_Optimization_and_Frequencies_part6	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-5546.14232257; Eh
31-Jan-2017	_1_Optimization_and_Frequencies_part7	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	-	-5546.14258597; Eh
31-Jan-2017	_1_Optimization_and_Frequencies_part8	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-5546.14258599; Eh

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