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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Jun-2025	/Bare_ion/piperidine-N-prot/DFT_OptFreq Furanylfentanyl_Nprot	Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization; Geometry optimization Minimum; Single point	DFT	def2-TZVPP; def2/J	-1190.25455051906465; -1190.25454984981707; -1183.39880813211903; Eh; Eh; Eh
	12-Jun-2025	/Bare_ion/piperidine-N-prot/CCSDT betaOH_Thiofentanyl_Nprot	Ieritano, Christian	Orca; 5.0.4; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1429.43649181; Eh
	12-Jun-2025	/Bare_ion/piperidine-N-prot/DFT_OptFreq Sufentanil_NProt	Ieritano, Christian	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1515.04426543; Eh
	12-Jun-2025	/Bare_ion/piperidine-N-prot/CCSDT AcetylFentanyl_NProt	Ieritano, Christian	Orca; 5.0.4; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-994.90259695; Eh
	12-Jun-2025	/Bare_ion/piperidine-N-prot/CCSDT Alfentanil_Nprot	Ieritano, Christian	Orca; 5.0.4; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1366.00318951; Eh
	12-Jun-2025	/Bare_ion/piperidine-N-prot/CCSDT Carfentanil_Nprot	Ieritano, Christian	Orca; 5.0.4; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1260.66647217; Eh
	28-Jan-2026	B14	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J	-746.00412185882169; Eh
	28-Jan-2026	B15	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J	-839.23547664233615; Eh
	28-Jan-2026	B13	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J	-654.79649620067971; Eh
	12-Jun-2025	/Bare_ion/O-prot/TDDFT_VGFC Cyclopropylfentanyl_Oprot	Ieritano, Christian	Orca; 5.0.4; RELEASE	Single point	TDDFT	def2-TZVPP	-1078.48108662; Eh

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