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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jan-2023	H2O_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-76.06239428; Eh
	17-Jan-2023	ACE-H_W_2_A_0_d_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-344.54737735; Eh
	17-Jan-2023	ACE-H_W_2_A_0_b_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-344.53305994; Eh
	17-Jan-2023	ACE-H_W_2_A_0_c_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-344.52947934; Eh
	17-Jan-2023	MeOH2_W_1_A_1_b_EHigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-306.62295406; Eh
	17-Jan-2023	MeOH2_W_2_A_0_c_EHigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-267.58566923; Eh
	17-Jan-2023	MeOH2_W_1_A_1_a_EHigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-306.63175295; Eh
	17-Jan-2023	MeOH2_W_2_A_0_b_EHigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-267.58714536; Eh
	17-Jan-2023	MeOH2_W_2_A_0_a_EHigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-267.59658569; Eh
	17-Jan-2023	Aniline_H2O_3_c_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-514.44653001; Eh

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