%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
 Na                -0.03018960   -0.23365418   -0.93929496
 H                  0.77701347   -3.29360172   -0.49865922
 H                 -0.82020701   -3.29360282   -0.46327253
 H                 -0.84053166   -0.68132330    2.11376260
 H                  0.75669791   -0.71641148    2.11376465
 H                  3.02403393    0.00105841   -0.05136788
 H                  3.02403396   -1.12857327   -1.18056045
 H                  0.85861184    0.00218715   -3.99790530
 H                 -0.26914302   -1.12887604   -3.99790448
 H                  0.41029160    2.81806671   -0.13255640
 H                  0.44824238    2.81806904   -1.72971754
 H                 -3.08763533    0.54067730   -0.44735257
 H                 -3.08763582   -0.19851440   -1.86360266
 O                 -0.04483590   -2.61616024   -0.91800203
 O                 -0.01605094   -0.25522398    1.43633338
 O                  2.34659135   -0.25721219   -0.93400324
 O                 -0.02253011    2.14064179   -0.96745240
 O                 -2.41021313   -0.22778433   -0.96261060
 O                 -0.01003312   -0.25541703   -3.32047074

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
****
Na     0
S    5   1.00
   4098.2003908             -0.58535911879D-02
    616.49374031            -0.43647161872D-01
    139.96644001            -0.19431465884
     39.073441051           -0.48685065731
     11.929847205           -0.41881705137
S    3   1.00
     20.659966030            0.85949689854D-01
      1.9838860978          -0.56359144041
      0.64836323942         -0.51954009048
S    1   1.00
      0.52443967404D-01      1.0000000
S    1   1.00
      0.28048160742D-01      1.0000000
P    5   1.00
     75.401862017            0.154353625324D-01
     17.274818978            0.997382931840D-01
      5.1842347425           0.312095939659
      1.6601211973           0.492956748074
      0.51232528958          0.324203983180
P    1   1.00
      0.0520000              1.0000000
D    1   1.00
      0.1310000              1.0000000
****




