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Title	Author(s)	Program	Method(s)	Basis Set	Energy
/Pristine-Co-MOF-74 A-O-AFM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1186.99682629; eV
/Pristine-Co-MOF-74 A-OOH-AFM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1197.22595018; eV
/Pristine-Co-MOF-74 A-OH-H₂O-AFM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complex	DFT	-	-1207.52585255; eV
/Pristine-Co-MOF-74 A-O-H₂O-AFM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complex	DFT	-	-1201.76210496; eV
/Pristine-Co-MOF-74 A-FM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 14 2019 09:46:23) complex	DFT	-	-1183.03722545; eV
/Pristine-Co-MOF-74 A-OH-FM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 14 2019 09:46:23) complex	DFT	-	-1192.60739660; eV
/Pristine-Co-MOF-74 A-O-FM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 14 2019 09:46:23) complex	DFT	-	-1187.01812168; eV
/Pristine-Co-MOF-74 A-OOH-FM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 14 2019 09:46:23) complex	DFT	-	-1197.08622830; eV
/Pristine-Co-MOF-74 A-AFM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1183.05880651; eV
/Pristine-Co-MOF-74 A-OH-AFM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1192.66324739; eV
/Pristine-Fe-MOF-74 B-AFM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1210.43162897; eV
/Pristine-Fe-MOF-74 B-OH-AFM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1220.40555469; eV
/Pristine-Fe-MOF-74 B-O-AFM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1214.45914966; eV
/Pristine-Fe-MOF-74 B-OOH-AFM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1224.68267863; eV
/Pristine-Fe-MOF-74 B-OH-H₂O-AFM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complex	DFT	-	-1235.13076451; eV
/Pristine-Fe-MOF-74 B-O-H₂O-AFM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1229.33208315; eV
/Pristine-Fe-MOF-74 B-FM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 14 2019 09:46:23) complex	DFT	-	-1210.40489227; eV
/Pristine-Fe-MOF-74 B-OH-FM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 14 2019 09:46:23) complex	DFT	-	-1220.51550789; eV
/Pristine-Fe-MOF-74 B-O-FM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 14 2019 09:46:23) complex	DFT	-	-1214.47935671; eV
/Pristine-Fe-MOF-74 B-OOH-FM-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complex	DFT	-	-1224.69265907; eV
/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-A-OH-t-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complex	DFT	-	-2381.48718213; eV
/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-A-OH-b-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complex	DFT	-	-2381.48718276; eV
/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-A-O-t-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complex	DFT	-	-2375.35989852; eV
/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-A-O-b-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complex	DFT	-	-2375.75718875; eV
/Defective-Fe-MOF-74/Additional-Defective-Fe-MOF-74 C-A-OOH-t-freq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complex	DFT	-	-2385.61166342; eV