
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 -1.504867 3.153706 -0.274331
W 1.083506 0.191288 2.680706
W 0.823568 -3.422942 -0.742634
W -2.334032 -0.563647 -3.360957
W 1.665437 2.629902 -0.120775
W 1.330501 -1.238819 -3.259279
W -2.826825 -2.66443 -0.953958
W -2.081515 0.772183 2.528881
W -1.000816 -2.249538 2.298446
W -3.918715 0.351262 -0.7086710000000001
W 0.091761 2.277096 -2.9268
W 2.981104 -0.866971 -0.3475300000000001
O -0.098049 1.695846 -0.87992
O -0.5878019999999999 -0.334151 1.475671
O 0.813017 -1.144661 -1.0295
O -2.126128 -0.680299 -1.248495
O -3.383467 0.373722 1.147561
O 2.702459 1.002785 -0.543992
O -2.327502 -2.565537 0.920548
O 1.158667 0.65561 -3.282503
O 2.291829 -0.704309 1.434911
O -1.418427 1.139506 -3.390362
O 0.247715 -3.090968 1.060482
O -2.969799 2.056633 -0.832071
O -1.040149 -3.38166 -1.225162
O -1.672633 2.351308 1.460087
O -0.550462 -1.338882 -3.591897
O 1.393578 1.767789 1.59893
O 1.663312 3.068279 -2.044369
O -2.261607 -1.049955 3.227720999999999
O 3.028866 -1.06301 -2.293444
O -4.40557 -1.536194 -0.571352
O -1.10914 3.601371 -2.187233
O 2.605984 -2.800913 -0.267777
O -3.960331 0.290504 -2.684448999999999
O 0.51698 -1.576306 3.357057
O -0.431679 1.080115 3.560371
O -3.006588 -2.364567 -2.887854
O 0.271134 3.911576000000001 0.268689
O 1.280022 -3.097012 -2.608264
O -2.335655 4.685127 -0.002886
O 2.204944 0.488521 4.006999
O 1.116433 -5.147786000000001 -0.691974
O -2.899523 -0.651958 -5.027667
O 3.009174 3.702054 0.263853
O 1.978893 -1.551906 -4.8555
O -3.75199 -4.164379 -0.956526
O -3.133893 1.499653 3.739326
O -1.318772 -3.614488 3.366669
O -5.569613 0.947749 -0.56467
O 0.352771 3.105686 -4.459106
O 4.703596 -0.935576 -0.039603
end

charge -8

geometry
End

AnalyticalFreq
END

SCANFREQ -1000 0

