AnalyticalFreq end Basis Core Small Type TZP end NumericalQuality Good QTAIM Enabled Yes End Relativistic Scalar ZORA SOLVATION Surf Delley Solv name=Water cav0=0.0 cav1=0.0067639 Charged method=CONJ C-Mat POT SCF VAR ALL CSMRSP Radii H=1.30 O=1.72 W=1.992 SubEnd end ScanFreq -1000 0 XC GGA PBE end atoms 1 W 3.734057 3.495208 7.293494 2 W 7.040561 3.772123 10.043699 3 W 4.417166 1.736768 9.939050 4 W 4.011015 5.232844 10.325798 5 W 3.567049 6.902672 7.285253 6 W 7.136820 7.052238 9.517891 7 W 4.386106 8.797433 9.844853 8 O 2.880601 5.227863 8.856297 9 O 5.987999 5.148756 10.915442 10 O 5.018027 3.600020 8.992377 11 O 7.391661 5.315980 8.754433 12 O 3.018985 2.169080 8.706288 13 O 4.418009 5.206212 6.713477 14 O 5.218605 0.430810 9.074383 15 O 1.993535 6.735637 6.511129 16 O 7.728397 8.114560 8.253335 17 O 3.488901 6.597516 11.321277 18 O 6.050181 8.319679 10.696058 19 O 8.537682 3.749287 10.938670 20 O 4.732236 2.428594 6.312040 21 O 3.464558 9.509560 11.176239 22 O 5.033065 6.860057 9.001322 23 O 2.931864 8.159616 8.671322 24 O 4.926668 10.153097 8.859940 25 O 2.134805 3.486340 6.542659 26 O 7.572949 2.654116 8.499655 27 O 3.507860 3.794402 11.251522 28 O 6.091977 2.358216 10.924319 29 O 8.397811 7.038656 10.759796 30 O 4.485402 7.960406 6.227896 31 O 3.549575 0.955021 11.267674 32 H 6.813440 2.621081 7.875876 end charge -5 geometry end