
NumericalQuality Good

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

XC
  GGA PBE
end

atoms
W 10.120859 14.208121 6.118066
W 10.764387 11.442557 7.923824
W 13.513246 11.558036 9.841709
W 11.387738 14.734394 9.755224
O 10.712571 13.779793 8.217179
O 9.078382999999999 11.295401 8.469556000000001
O 11.53175 11.342808 9.679262
O 10.219146 14.214293 11.008923
O 13.856478 9.856094000000001 9.433341
O 12.982078 12.082281 7.736253
O 8.38148 14.017191 6.465649
O 10.486124 12.238181 6.205949
O 12.333311 14.116674 5.972989
O 11.107453 9.803886 7.32857
O 13.550683 11.484117 11.630423
W 10.595737 17.410301 8.009753999999999
W 13.325192 17.33333 9.838224
O 10.304566 16.016507 6.534012
O 9.218745999999999 18.460452 7.539542
O 11.893534 18.119335 6.591508
O 9.786387 16.243999 9.189356999999999
O 12.275799 16.135666 8.499499999999999
O 11.460752 18.471259 9.250101000000001
O 12.075318 16.213359 10.929057
O 13.462534 18.547441 11.147139
W 16.969685 16.194047 9.974792000000001
W 16.326084 18.95982 8.169226
W 13.577222 18.844253 6.251438
W 15.702717 15.667899 6.337744
O 16.37771 16.622421 7.875954
O 18.012036 19.10682600000001 7.623376
O 15.558677 19.059574 6.413868
O 14.303022 16.753345 6.042002
O 16.871602 16.188134 5.084267
O 13.233942 20.546095 6.660159
O 14.108461 18.320075 8.356928
O 18.708934 16.385031 9.626698000000001
O 16.604464 18.164111 9.887119
O 14.757236 16.285822 10.119883
O 16.996997 16.107161 11.763271
O 15.983247 20.598395 8.764863999999999
O 13.539649 18.918384 4.462715
W 16.494565 12.991932 8.083209999999999
W 13.765215 13.069039 6.254755
O 16.785882 14.385562 9.558897
O 17.871228 11.941345 8.553508000000001
O 15.196987 12.282907 9.501587000000001
O 17.30397 14.158222 6.903628
O 14.814567 14.266663 7.593464
O 15.62954 11.930829 6.842944
O 15.015369 14.188819 5.164041
O 13.627868 11.854916 4.94588
O 12.787412 13.648941 10.050961
O 10.093737 14.294498 4.32955
end

charge -12

geometry
end

AnalyticalFreq
END

SCANFREQ -1000 0

QTAIM
    Enabled Yes
End

