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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jul-2022	/DFT/R1=OEt/L2=NCO/R2=OH HS_para_OH_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP GEN	-2930.20556386; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCO/R2=OH LS_para_OH_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP GEN	-2930.20595827; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCBH3/R2=Me LS_para_Me_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-2676.66554651; Eh
	20-Jul-2022	/DFT/R1=OtBu/L2=NCS HS_no_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-3751.99433658; Eh
	20-Jul-2022	/DFT/R1=OtBu/L2=NCS LS_no_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-3751.99244130; Eh
	25-Jul-2022	/fe_ch4/doublet fe-cpcm_chcl3-2	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-7373.2918086; Eh
	25-Jul-2022	/mn mn_5	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Structure	UTPSSh	DEF2SVP DEF2TZVP	-7335.8042215; Eh
	25-Jul-2022	/rh rh_3	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-6295.2674374; Eh
	25-Jul-2022	/tc tc_3	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-6265.6403662; Eh
	25-Jul-2022	/mo mo_4	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-6253.1183261; Eh

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