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 3.884905 3.021350 6.453615 2 W 6.825921 4.012876 9.748580 3 W 3.963081 2.759946 9.892149 4 W 3.601735 6.435454 7.870630 5 W 7.381334 7.178039 9.265334 6 W 4.341569 8.028752 10.771163 7 O 5.694082 3.143869 8.577686 8 O 7.757873 5.286951 8.695219 9 O 3.411302 2.128449 8.064186 10 O 3.986326 4.899577 6.658999 11 O 1.843529 5.718600 8.228488 12 O 7.342618 7.878036 7.673086 13 O 4.357102 6.623918 11.835175 14 O 6.143606 8.375539 10.227168 15 O 6.868998 5.689543 10.964651 16 O 5.331111 2.395207 5.698518 17 O 3.808120 9.391460 11.720194 18 O 5.128764 6.197563 8.806793 19 O 3.100573 7.790058 9.399935 20 O 2.581388 2.689717 5.343029 21 O 8.045644 2.894567 10.250221 22 O 2.609511 3.861270 10.128519 23 O 5.308928 3.614626 10.990232 24 O 8.910735 7.668352 9.923699 25 O 3.680434 7.689440 6.680669 26 O 3.634469 1.310349 10.791989 27 H 5.984416 5.806090 11.405597 28 H 1.894371 5.076670 8.992702 end charge -2 geometry end