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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	2-ethylquinoline_H2O_0_ACN_2_b_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization	-	def2-TZVPP	-747.00409210; Eh
	7-Mar-2023	2-ethylquinoline_H2O_0_ACN_0_a_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-477.98368951; Eh
	7-Mar-2023	2-ethylquinoline_H2O_3_ACN_0_a_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization	-	def2-TZVPP	-710.78098632; Eh
	7-Mar-2023	2-ethylquinoline_H2O_2_ACN_0_a_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-634.29370433; Eh
	7-Mar-2023	2-ethylquinoline_H2O_1_ACN_1_a_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization	-	def2-TZVPP	-690.67188159; Eh
	7-Mar-2023	2-ethylquinoline_H2O_0_IPA_2_a_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-864.41748493; Eh
	7-Mar-2023	2-ethylquinoline_H2O_3_IPA_0_a_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-706.21603853; Eh
	7-Mar-2023	2-ethylquinoline_H2O_2_IPA_0_a_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-630.14148624; Eh
	7-Mar-2023	2-ethylquinoline_H2O_1_IPA_1_a_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-747.27998047; Eh
	7-Mar-2023	2-ethylquinoline_H2O_1_IPA_1_b_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-747.27995584; Eh

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