%mem=9GB
%nprocshared=8
#p opt pbepbe/gen SCF=(DIRECT,CONVER=6,XQC,FERMI) nosymm nofmm Pop=(Full) 5D 7F cphf(conver=7) freq INT=(Acc2E=11,Grid=Ultrafine) SCFCYC=500 EmpiricalDispersion=GD3 Density=current Prop=EFG scrf=(SMD,solvent=water)

Title Card Required

1 1
 Li                -0.79074900   -0.98216600   -0.04336800
 H                 -3.06493975   -1.80916488    0.41808455
 H                 -3.16722270   -0.29046755    0.26060748
 H                  0.62590810   -0.43104512    1.91854515
 H                  0.01293256    0.88426951    1.43074520
 H                 -0.88986900   -3.46131600   -0.24195500
 H                  0.58475400   -3.05581800   -0.31487400
 H                  0.15078059   -0.73669071   -2.35143886
 H                 -0.55220909    0.56998265   -1.96930215
 O                 -2.73322300   -1.07294400   -0.13370200
 O                 -0.24663600   -2.83896800    0.15180200
 O                 -0.20622500   -0.05928200    1.56398100
 O                  0.00861800   -0.13690200   -1.59261200

H     0
S    3   1.00
     13.0107010              0.19682158D-01
      1.9622572              0.13796524
      0.44453796             0.47831935
S    1   1.00
      0.12194962             1.0000000
P    1   1.00
      0.8000000              1.0000000
****
O     0
S    5   1.00
   2266.1767785             -0.53431809926D-02
    340.87010191            -0.39890039230D-01
     77.363135167           -0.17853911985
     21.479644940           -0.46427684959
      6.6589433124          -0.44309745172
S    1   1.00
      0.80975975668          1.0000000
S    1   1.00
      0.25530772234          1.0000000
P    3   1.00
     17.721504317            0.43394573193D-01
      3.8635505440           0.23094120765
      1.0480920883           0.51375311064
P    1   1.00
      0.27641544411          1.0000000
D    1   1.00
      1.2000000              1.0000000
****
Li     0
S    5   1.00
    266.27785516             0.64920150325D-02
     40.069783447            0.47747863215D-01
      9.0559944389           0.20268796111
      2.4503009051           0.48606574817
      0.72209571855          0.43626977955
S    1   1.00
      0.52810884721D-01      1.0000000
S    1   1.00
      0.20960948798D-01      1.0000000
P    2   1.00
      1.4500000              0.2586000
      0.3000000              1.0000000
P    1   1.00
      0.0820000              1.0000000
****






