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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-May-2019	Mn-11-OH-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1302.81634822; Eh
	3-May-2019	Mn-11-OOH-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1377.94981506; Eh
	3-May-2019	Fe-14-VAC-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1041.68796768; Eh
	22-Nov-2022	/Benchmarking_for_Open_System Fc_tpssh_II	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UTPSSh	DEF2TZVP	-1651.0841395; Eh
	22-Nov-2022	/Benchmarking_for_Open_System 4a_open_tpssh_II	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UTPSSh	DEF2TZVP	-2953.8945899; Eh
	22-Nov-2022	/Benchmarking_for_Open_System 4a(-)_open_tpssh_II	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UTPSSh	DEF2TZVP	-2953.987258; Eh
	22-Nov-2022	/Benchmarking_for_Open_System Fc(+)_tpssh_II	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UTPSSh	DEF2TZVP	-1650.8971782; Eh
	17-May-2024	/thermal/Fe3Mn2/cc1 cc1-tpssh	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UTPSSh	DEF2TZVP	-10490.0359652; Eh
	17-May-2024	/thermal/Fe4Mn1/a3 a3-tpssh	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UTPSSh	DEF2TZVP	-10602.710446; Eh
	17-May-2024	/thermal/Fe3Mn2/cc2 cc2-tpssh	Phung, Quan	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	UTPSSh	DEF2TZVP	-10490.0474089; Eh

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