ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar18-2021 13:29:55 Vanadium (TZP, 2p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP 692.5779000000003 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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 13:29:53 1 1 Vanadium TZP 2p t21.O ADF 2019 Mar18-2021 13:29:54 1 1 Oxygen TZP 1s 1 1 -9.30163919 0.00071634 0.00100000 T 0.00020047 0.00066667 T 0.00071634 0.00020047 0.01004011 0.01000000 F 0.00236569 0.00666667 T Cartesian 692.5779000000003 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CONVERGED