%chk=/work/sl7514/MSci_project/smd_p_fsi_complex/smd_fsicis_p1113_opt/smd_p1113_cHN1_opt_b3lyp_6311gdp_gd3bj.chk
%nprocshared=16
%mem=40800MB
# opt=(verytight) scf=conver=9 b3lyp/6-311g(d,p) scrf=(smd,solvent=generic) int=ultrafine empiricaldispersion=gd3bj

smd_p1113_cHN1_opt_b3lyp_6311gdp_gd3bj

0 1
 P                  0.32773111   -0.56297695   -0.00736977
 C                  0.34930711   -2.32376495    0.40638723
 H                  1.31066611   -2.56252195    0.86430223
 H                 -0.44930389   -2.54106695    1.11766123
 H                  0.20717311   -2.91813795   -0.49742177
 C                 -1.34933489   -0.13190695   -0.56222077
 H                 -2.05830189   -0.26664595    0.25583323
 H                 -1.36937589    0.91022005   -0.88394277
 H                 -1.64006889   -0.76771795   -1.39975777
 C                  1.43254811   -0.25681895   -1.40594877
 H                  1.71033011    0.79624805   -1.44608877
 H                  2.33812311   -0.84794095   -1.29638677
 H                  0.90978911   -0.54123095   -2.32149277
 C                  0.67817011    0.40658705    1.48440623
 H                  1.59924111    0.00338205    1.90256423
 H                 -0.13794189    0.17898905    2.18042823
 C                  0.80796911    1.91651005    1.24570923
 H                 -0.14656989    2.33061505    0.90274823
 H                  1.55221911    2.10203105    0.47069623
 C                  1.25574511    2.62633605    2.52429623
 H                  2.23206611    2.25191805    2.84007523
 H                  1.34751211    3.70094805    2.35520523
 H                  0.54743711    2.46967105    3.34330923
 N                  3.61576111    0.06455505    0.72668023
 O                  3.61902411    2.16810405   -0.52796677
 O                  3.07483111   -1.87192995    2.11877023
 S                  4.51132811    1.09874505   -0.12245577
 S                  4.10855011   -1.36938895    1.22727023
 O                  5.82588011    1.38481405    0.38967823
 O                  5.50532311   -1.55050895    1.52388823
 F                  4.76928911    0.24715805   -1.51369477
 F                  3.85303111   -2.27813195   -0.15288777

eps=12.00 epsinf=2.190 SurfaceTensionAtInterface=44.6 HBondAcidity=0.960 HBondBasicity=0.354 CarbonAromaticity=0.0 ElectronegativeHalogenicity=0.438