TITLE Substrate Opt NumFreq Symmetry NOSYM ATOMS cart P 2.52569900 -0.43048800 0.24318500 O 1.09385700 -1.28304100 -0.17542900 O 3.56666700 -1.52151200 0.03037300 O 2.31369500 0.01200200 1.68692600 O 2.58449500 0.72246900 -0.76866500 C -0.14935800 -0.76995500 -0.12205500 C -1.20005600 -1.65950400 -0.41342800 H -0.95938900 -2.68790800 -0.66232800 C -2.51315600 -1.23078200 -0.37857200 H -3.32498800 -1.91437200 -0.59841500 C -2.77427700 0.10181300 -0.05314800 N -4.14599900 0.55799900 -0.00165300 O -5.04431200 -0.25135800 -0.21008700 O -4.36617000 1.73786100 0.25266500 C -1.75034100 1.00305100 0.23202200 H -1.97951500 2.03287200 0.48083600 C -0.43436300 0.56890500 0.19979500 H 0.36513000 1.26407600 0.42411700 O 4.89179700 2.16338400 -0.65625600 H 4.05066700 1.64228900 -0.69671600 H 5.59368000 1.49476000 -0.64758800 end CHARGE -2 0 SCF ITERATIONS 300 end GEOMETRY ITERATIONS 300 end SOLVATION Solv Name=Water end BASIS type TZP end AnalyticalFreq End SCANFREQ -500 0 Relativistic Scalar ZORA XC GGA BP86 Dispersion Grimme3 end end input