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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.O ADF 2019 Sep07-2020 16:50:54 1 1 Oxygen TZP 1s t21.V ADF 2019 Sep07-2020 16:50:53 1 1 Vanadium TZP 2p 1 1 -12.17390288 0.06020710 0.00100000 F 0.01794989 0.00066667 F 0.06020710 0.01794989 0.04126692 0.01000000 F 0.01155554 0.00666667 F Cartesian 957.3982000000005 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