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Title	Author(s)	Program	Method(s)	Basis Set	Energy
/Si-H_vibrations Silane	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	RB3LYP	6-31+G(D,P) 6-31G(D,P) GEN	-635.636500314; Eh
/Si-H_vibrations I	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1639.13618358; Eh
/Si-H_vibrations II	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1639.13138004; Eh
/Si-H_vibrations III	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1639.12818576; Eh
/pre-catalysts cat-6	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1232.62837899; Eh
/pre-catalysts cat-7	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1232.59667250; Eh
/PBE0 PBE0_cat-2	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UPBE1PBE	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1346.93436887; Eh
/PBE0 PBE0_cat-4	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UPBE1PBE	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1118.03194683; Eh
/PBE0 PBE0_TSa	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UPBE1PBE	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1640.57481744; Eh
/pre-catalysts cat-2	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1348.38872323; Eh
/pre-catalysts cat-3	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1347.90778363; Eh
/pre-catalysts cat-4	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1119.23294145; Eh
/pre-catalysts cat-5	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1118.75137696; Eh
/silane_reactivity TSa	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1642.20206882; Eh
/silane_reactivity TSb	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1756.79159367; Eh
/silane_reactivity TSc	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1871.37847893; Eh
/silane_reactivity TSd	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1681.52939476; Eh
/silane_reactivity TSe	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1720.85851205; Eh
/silane_reactivity TSf	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1796.11762471; Eh
/hydrides Co-hydride_3u	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1004.64890302; Eh
/hydrides Co-hydride_1u	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1004.65126085; Eh