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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
1-Dec-2021	CH2	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-39.0645694; Eh
1-Dec-2021	CN	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X; UCCSD	GEN AUG-CC-PVTZ	-92.5699174; Eh
1-Dec-2021	CN	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X; UCCSD	GEN AUG-CC-PVTZ	-92.5699174; Eh
1-Dec-2021	H2N	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X; UCCSD	GEN AUG-CC-PVTZ	-55.7998323; Eh
1-Dec-2021	HCN	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-93.2804397; Eh
1-Dec-2021	HCN	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-93.2804397; Eh
1-Dec-2021	HNC	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-93.2570848; Eh
1-Dec-2021	MIN1	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.1626358; Eh
1-Dec-2021	MIN10	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.1255514; Eh
1-Dec-2021	MIN102	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.0683723; Eh
1-Dec-2021	MIN117	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.0794509; Eh
1-Dec-2021	MIN12	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.1155787; Eh
1-Dec-2021	MIN13	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X; UCCSD	GEN AUG-CC-PVTZ	-362.4742312; Eh
1-Dec-2021	MIN132	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.0656545; Eh
1-Dec-2021	MIN155	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.0622867; Eh
1-Dec-2021	MIN2	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.1750522; Eh
1-Dec-2021	MIN2	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X; UCCSD	GEN AUG-CC-PVTZ	-362.4770849; Eh
1-Dec-2021	MIN20	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.1076377; Eh
1-Dec-2021	MIN203	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X; UCCSD	GEN AUG-CC-PVTZ	-362.3853907; Eh
1-Dec-2021	MIN22	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.1065065; Eh

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