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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Apr-2026	/optimization_minima I2_freq	Narayanan S J, Jishnu; Major, Dan Thomas	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP; def2/J	-780.77636858334051; Eh
	23-Feb-2026	MnII-L1_dmso_3 complex opt freq	Zlatar, Matija	Orca; 6.1.1; RELEASE	Geometry optimization Minimum	DFT	def2-tzvp(-f)	-4059.57988409054633; Eh
	23-Feb-2026	MnII-L2_2 complex opt freq	Zlatar, Matija	Orca; 6.1.1; RELEASE	Geometry optimization Minimum	DFT	def2-tzvp(-f)	-8153.49068843077293; Eh
	23-Feb-2026	znII complex 2dmso opt freq	Zlatar, Matija	Orca; 6.1.1; RELEASE	Geometry optimization Minimum	DFT	def2-tzvp(-f)	-6387.30227287424168; Eh
	23-Feb-2026	MnII-L1_2 complex opt freq	Zlatar, Matija	Orca; 6.1.1; RELEASE	Geometry optimization Minimum	DFT	def2-tzvp(-f)	-3648.05553522931223; Eh
	23-Feb-2026	MnII-L3_2 complex opt freq	Zlatar, Matija	Orca; 6.1.1; RELEASE	Geometry optimization Minimum	DFT	def2-tzvp(-f)	-3038.60782094980550; Eh
	23-Feb-2026	znII complex 3dmso opt freq	Zlatar, Matija	Orca; 6.1.1; RELEASE	Geometry optimization Minimum	DFT	def2-tzvp(-f)	-6940.65033791738551; Eh
	23-Feb-2026	znII complex opt freq	Zlatar, Matija	Orca; 6.1.1; RELEASE	Geometry optimization Minimum	DFT	def2-tzvp(-f)	-8781.79577185651760; Eh
	23-Feb-2026	MnII-L2_dmso_3 complex opt freq	Zlatar, Matija	Orca; 6.1.1; RELEASE	Geometry optimization Minimum	DFT	def2-tzvp(-f)	-6312.30827674543616; Eh
	23-Feb-2026	MnII-L2_dmso_2 complex opt freq	Zlatar, Matija	Orca; 6.1.1; RELEASE	Geometry optimization Minimum	DFT	def2-tzvp(-f)	-5758.95377386161908; Eh

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