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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	H2O_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-76.47711764; Eh
	7-Mar-2023	IPA_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-194.51183020; Eh
	7-Mar-2023	2-methyl-6-ethoxyquinoline_H2O_0_IPA_0_a_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-591.91731485; Eh
	7-Mar-2023	2-methyl-6-ethoxyquinoline_H2O_1_IPA_0_a_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-672.40311007; Eh
	7-Mar-2023	2-methyl-6-ethoxyquinoline_H2O_0_IPA_1_e_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-790.43962292; Eh
	7-Mar-2023	2-methyl-6-ethoxyquinoline_H2O_2_IPA_0_a_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-748.89758791; Eh
	7-Mar-2023	2-methyl-6-ethoxyquinoline_H2O_0_IPA_1_a_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-790.44001311; Eh
	7-Mar-2023	2-methyl-6-ethoxyquinoline_H2O_1_IPA_1_b_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-866.93191719; Eh
	7-Mar-2023	2-methyl-6-ethoxyquinoline_H2O_1_IPA_1_a_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-866.93443806; Eh
	7-Mar-2023	2-methyl-6-ethoxyquinoline_H2O_0_IPA_2_a_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-984.96800610; Eh

Results 101-110 of 120 (Search time: 0.001 seconds).