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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-41-p1-boh3/9b-cptjohnphos-41-p1-boh3-opt 9b-cptjohnphos-41-p1-boh3-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-3228.35927591; Eh
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-39-t2-lig/9b-cptjohnphos-39-t2-lig-opt 9b-cptjohnphos-39-t2-lig-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-3228.33729356; Eh
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-21-t4/9b-cptjohnphos-21-t4-opt 9b-cptjohnphos-21-t4-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1858.53042857; Eh
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-40-ts-t2-p1/9b-cptjohnphos-40-ts-t2-p1-orcasp 9b-cptjohnphos-40-ts-t2-p1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-3224.93245179; Eh
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-20-ts-t3-t4/9b-cptjohnphos-20-ts-t3-t4-orcasp 9b-cptjohnphos-20-ts-t3-t4-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1856.35957959; Eh
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-41-p1-boh3/9b-cptjohnphos-41-p1-boh3-orcasp 9b-cptjohnphos-41-p1-boh3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-3224.98230775; Eh
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-39-t2-lig/9b-cptjohnphos-39-t2-lig-orcasp 9b-cptjohnphos-39-t2-lig-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-3224.97257236; Eh
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-21-t4/9b-cptjohnphos-21-t4-orcasp 9b-cptjohnphos-21-t4-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1856.39638163; Eh
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-17-ts-t2-t3/9b-cptjohnphos-17-ts-t2-t3-opt 9b-cptjohnphos-17-ts-t2-t3-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2110.56052388; Eh
	26-Jan-2025	/9b-cptjohnphos/9b-cptjohnphos-20-ts-t3-t4/9b-cptjohnphos-20-ts-t3-t4-opt 9b-cptjohnphos-20-ts-t3-t4-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-1858.49895510; Eh

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