%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Phenothrin_RR CONF12 water 0 1 O 0.7448198129 -2.5918924987 -1.0661025420 O 0.2328136804 -2.1571686827 1.0667988546 O 2.7092275418 2.0040529932 -0.4470960286 C -2.7215511212 -2.1346696720 -0.0346484739 C -2.2100409878 -0.7308995538 0.0376757861 C -1.3848191862 -1.7851265764 -0.6674791707 C -3.8301880555 -2.4492190849 -1.0077173374 C -2.7904650746 -2.9480816752 1.2329753821 C -2.7884657498 0.3781463578 -0.7602207876 C -0.0895712270 -2.1908744513 -0.0987860013 C -3.6645400475 1.2722228543 -0.2953521039 C -4.1562023337 2.3964105340 -1.1539377445 C -4.2069653920 1.2477959874 1.1003532868 C 2.0906421895 -2.8808508798 -0.7128431134 C 2.8863294265 -1.6513998179 -0.3601308008 C 2.4122670188 -0.3714008787 -0.6067470718 C 4.1441816851 -1.8152696687 0.2164414404 C 3.1701673151 0.7285270560 -0.2260521835 C 4.9089139022 -0.7093409667 0.5487989584 C 4.4208208976 0.5754156519 0.3464118841 C 1.4557708748 2.3493513603 -0.0068990275 C 0.8141553144 3.3686683744 -0.6988037214 C 0.8563066516 1.7616369822 1.1018379752 C -0.4275133411 3.8124674235 -0.2678871907 C -0.3900628993 2.2122201513 1.5152717211 C -1.0360648474 3.2380325146 0.8394460666 H -1.8283909353 -0.4505656284 1.0159526551 H -1.3957637072 -1.7432691740 -1.7511099546 H -3.8298458088 -3.5101846421 -1.2629617817 H -3.7453037586 -1.8838749275 -1.9349885024 H -4.8003944248 -2.2160823416 -0.5648156098 H -2.0776534248 -2.6251557416 1.9878123168 H -2.6186084515 -4.0073628803 1.0332379189 H -3.7874324556 -2.8547700385 1.6675875077 H -2.4549221292 0.4679952773 -1.7901426683 H -3.7164155492 2.3749368306 -2.1509313540 H -3.9191950103 3.3635618425 -0.7015978275 H -5.2435864774 2.3650217158 -1.2615668047 H -5.2990962705 1.2035432940 1.0851312496 H -3.9452675207 2.1652813532 1.6347217519 H -3.8505682206 0.4026060131 1.6871755304 H 2.5139287587 -3.3626470726 -1.5941389997 H 2.1331455485 -3.6045953287 0.1040821283 H 1.4530425595 -0.2072151418 -1.0824175132 H 4.5229640582 -2.8119876434 0.4077928906 H 5.8864761110 -0.8441382487 0.9925878646 H 5.0015151427 1.4431377004 0.6314670311 H 1.2895732229 3.8132253564 -1.5639981053 H 1.3481763333 0.9676944982 1.6489158937 H -0.9238771885 4.6072448131 -0.8091825315 H -0.8569298303 1.7531537189 2.3771533259 H -2.0076301734 3.5811345598 1.1693153879 --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 Phenothrin_RR CONF12 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 Phenothrin_RR CONF12 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 Phenothrin_RR CONF12 water 0 1