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Browsing by Author Vidal, Daniel

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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Jan-2023	/L1 S1_L1_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2277.87735846; Eh
2-Jan-2023	/L1 S1_L1_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2277.89345241; Eh
2-Jan-2023	/L1 S2_L1_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UBLYP	DEF2TZVP	-2434.03902226; Eh
2-Jan-2023	/L1 S2_L1_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2434.05403460; Eh
2-Jan-2023	/L1 S3_L1_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-3619.61945346; Eh
2-Jan-2023	/L1 S3_L1_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-3619.63849594; Eh
2-Jan-2023	/L1 S4_L1_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UBLYP	DEF2TZVP	-2733.39311846; Eh
2-Jan-2023	/L1 S4_L1_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2733.40168337; Eh
2-Jan-2023	/L1 S5_L1_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2673.10690127; Eh
2-Jan-2023	/L1 S5_L1_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2673.11656313; Eh
2-Jan-2023	/L1 S6_L1_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-4110.95833530; Eh
2-Jan-2023	/L1 S6_L1_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-4110.96968097; Eh
2-Jan-2023	/L1 S7_L1_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-12554.3755780; Eh
2-Jan-2023	/L1 S7_L1_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-12554.3861776; Eh
2-Jan-2023	/L1 S8_L1_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2498.07055135; Eh
2-Jan-2023	/L1 S8_L1_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2498.07721113; Eh
2-Jan-2023	/L1 S9_L1_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2644.65495371; Eh
2-Jan-2023	/L1 S9_L1_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2644.67304815; Eh
2-Jan-2023	/L2_META S1_L2_META_HS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2661.20234950; Eh
2-Jan-2023	/L2_META S1_L2_META_LS_FREQ	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UBLYP	DEF2TZVP	-2661.21052329; Eh

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