%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Fenhexamid CONF1 water 0 1 Cl -1.4148225063 -2.1008806834 -0.1744688901 Cl -4.3054884345 -1.1071527889 0.2208743245 O 1.8805952474 1.8808349209 -0.6170464105 O -4.5520819926 1.8835832681 0.3478837342 N 0.6418167397 -0.0024280395 -0.3767405322 C 3.0386717373 -0.2393927147 -0.7560787112 C 4.3256837663 0.5791612373 -0.5846855989 C 3.0875142969 -1.4137427964 0.2362076302 C 4.5846729789 1.0268436246 0.8510949699 C 3.2853623998 -0.9616236729 1.6776169857 C 4.5673957146 -0.1501981062 1.8188780889 C 2.9649065644 -0.7773914301 -2.1912638529 C 1.8141528708 0.6633300275 -0.5569070222 C -0.6481735293 0.5008947965 -0.2049578308 C -1.7103516328 -0.4026941898 -0.0918637587 C -0.9593449865 1.8594895593 -0.1233945243 C -3.0193292135 0.0334499250 0.0908882646 C -2.2583879515 2.2886755993 0.0599023791 C -3.3121146720 1.3920368571 0.1704628770 H 4.3285000220 1.4357270042 -1.2612441830 H 5.1524854051 -0.0625517625 -0.9056922475 H 3.9350839516 -2.0408917587 -0.0585132504 H 2.2132412877 -2.0660265691 0.1498422516 H 3.8384699375 1.7625790322 1.1604587183 H 5.5505711484 1.5350495854 0.8982364744 H 3.3168129210 -1.8353515793 2.3321616923 H 2.4300551541 -0.3621389580 2.0072204338 H 5.4252371863 -0.7997714798 1.6158866770 H 4.6804066980 0.2043475841 2.8459758150 H 3.8529783187 -1.3744318065 -2.4023296579 H 2.0935684994 -1.4157804860 -2.3461825883 H 2.9267095412 0.0325867544 -2.9214073499 H 0.7125432459 -1.0082556292 -0.3911822952 H -0.1838666936 2.6010734309 -0.2014655292 H -2.4637087155 3.3492913764 0.1190380858 H -5.2154886021 1.1838603115 0.4003532452 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Fenhexamid CONF1 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Fenhexamid CONF1 water 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Fenhexamid CONF1 water 0 1