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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.V ADF 2019 Mar18-2021 17:53:16 1 1 Vanadium TZP 2p t21.O ADF 2019 Mar18-2021 17:53:17 1 1 Oxygen TZP 1s t21.H ADF 2019 Mar18-2021 17:53:15 1 1 Hydrogen TZP 1 1 -10.63340086 0.00091809 0.00100000 T 0.00020201 0.00066667 T 0.00091809 0.00020201 0.01401470 0.01000000 F 0.00363514 0.00666667 T Cartesian 791.5176000000005 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1642.30454461 -2308.47696571 -3902.60928923 -172.7602 265.0003 -66.8728 -253.8334 -60.8901 -289.3562 Mar18-2021 17:53:14 Nodes: 1 Procs: 1 Mar18-2021 17:53:15 Nodes: 1 Procs: 1 0 Mar18-2021 17:53:15 Nodes: 1 Procs: 1 Mar18-2021 17:53:16 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 Mar18-2021 17:53:16 Nodes: 1 Procs: 1 Mar18-2021 17:53:17 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar18-2021 17:53:18 Nodes: 1 Procs: 24 *** (NO TITLE) *** -7 -10.63340086 -10.63346332 -10.63358171 -10.63353963 -10.63351694 -10.63351021 -10.63350055 -10.63353715 -10.63359408 -10.63361281 -10.63364359 GEOMETRY CONVERGED