%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Imiprothrin_RS CONF3 water 0 1 O 0.9023020750 1.8310981160 -0.9535418407 O 1.2211627539 1.1004034285 1.1337734713 O -1.5309368069 2.1619559287 2.0616434158 O -1.6854102871 0.8637156768 -2.3094489897 N -1.3371145585 1.7350965671 -0.1950063409 N -2.9415287302 0.2453037410 -0.4765106022 C 3.8828112871 -0.1275177963 0.1060663098 C 2.8479700930 -1.1215041092 -0.2829378445 C 2.6586026872 0.3625271463 -0.6435278436 C 5.1530099162 -0.1003638764 -0.7124999432 C 4.1213341606 0.2206983831 1.5545348030 C 1.9622981030 -1.7964534102 0.6939113944 C 1.5598473979 1.1102755809 -0.0253255314 C 0.7747069076 -2.3129315094 0.3661819949 C -0.0816433734 -3.0135426065 1.3734908782 C 0.2289923588 -2.2169144781 -1.0310729583 C -0.2287344782 2.5762554380 -0.5432303945 C -1.8670741452 1.5789397191 1.0595268128 C -1.9766727975 0.9143768451 -1.1325312208 C -2.9638390757 0.5578143682 0.9284797615 C -3.8187471022 -0.7242874939 -1.0848913002 C -3.7100195966 -2.0376762520 -0.4577995902 C -3.6353298115 -3.1089666532 0.0802908173 H 3.0760571187 -1.7125254231 -1.1668252679 H 2.8184833637 0.6016187301 -1.6878454634 H 4.9717368530 -0.3601068455 -1.7562152271 H 5.6106040652 0.8902781821 -0.6883949678 H 5.8788481514 -0.8119310361 -0.3143471655 H 4.4811233610 1.2466358871 1.6477785681 H 3.2480753068 0.1156325123 2.1912142544 H 4.8972530818 -0.4341353928 1.9556314142 H 2.3137451893 -1.8918914922 1.7164233073 H -0.3523512948 -4.0162326265 1.0325596647 H 0.4123284913 -3.1048116727 2.3408448762 H -1.0220990815 -2.4752837099 1.5231869988 H 0.7946626306 -2.8485365138 -1.7214309922 H -0.8084359382 -2.5460894736 -1.0805565898 H 0.2791928858 -1.2003418778 -1.4258002747 H -0.0060633490 3.2247588766 0.3027527850 H -0.4872223763 3.1951069097 -1.3983748464 H -2.7453503986 -0.3127868056 1.5534564328 H -3.9212227355 0.9779788547 1.2455506334 H -3.5751887598 -0.7966657432 -2.1447069765 H -4.8541808390 -0.3811812954 -1.0228887775 H -3.5706176327 -4.0617361045 0.5580789691 --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 Imiprothrin_RS CONF3 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 Imiprothrin_RS CONF3 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 Imiprothrin_RS CONF3 water 0 1