%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Spirotetramat CONF58 water 0 1 O 5.9805293375 0.1141718404 -0.2232891262 O -0.0771089002 1.1143541639 0.8181480520 O 0.0147424249 -3.2147755104 -1.0795188430 O -1.2981714609 2.8625072513 0.9609087805 O -0.8512706031 2.0371925073 -1.0881233240 N 1.6423476718 -1.6695056226 -0.5776012604 C 1.7501563038 -0.3348816180 -0.0234770293 C 2.5460974362 -0.3251607543 1.2881998375 C 2.3758877730 0.6486237943 -1.0225413988 C 4.0241812962 -0.6147074254 1.0525459337 C 3.8549612881 0.3582527660 -1.2463076436 C 4.6227099683 0.3830953001 0.0656987895 C 0.2997642881 -0.0415429754 0.2023901613 C -0.5013714471 -1.0337505977 -0.1715018724 C 0.3761953664 -2.1188748583 -0.6704426469 C -1.9672718356 -1.1198350660 -0.0883933647 C 6.8710393051 0.4506077545 0.8167969791 C -2.5705366335 -1.7269989428 1.0179041836 C -2.7463966741 -0.5772597861 -1.1060538058 C -0.7725949608 2.0227956148 0.1080841357 C -4.1358295657 -0.5968513623 -1.0504891999 C -3.9613997906 -1.7562057559 1.0639774770 C -1.7467859121 -2.3122120182 2.1255483900 C -4.7313274132 -1.1974186483 0.0545476816 C -4.9614992839 0.0054958924 -2.1485420892 C -2.2274995259 3.8422853619 0.4454353018 C -3.5946032896 3.2370600427 0.2336181315 H 2.1183832986 -1.0510290794 1.9821859834 H 2.4418045186 0.6599663989 1.7505883477 H 2.2628364286 1.6627475276 -0.6297612309 H 1.8317248176 0.6071053307 -1.9674779294 H 4.5414362849 -0.5713688565 2.0133234343 H 4.1611314897 -1.6313319739 0.6682717329 H 3.9816980150 -0.6176039300 -1.7274742473 H 4.2631913367 1.1034602923 -1.9325142335 H 4.5347448693 1.3923822172 0.4995845466 H 2.4459315471 -2.2250995990 -0.8305921628 H 6.7565935827 1.4948790644 1.1291165453 H 6.7540415900 -0.1818195472 1.7022164500 H 7.8855049686 0.3167210724 0.4417168577 H -2.2579601495 -0.1241055196 -1.9599318538 H -4.4517455868 -2.2159267942 1.9137995702 H -1.1026432871 -1.5621892862 2.5884726544 H -2.3803574158 -2.7314715212 2.9059823188 H -1.0957133644 -3.1114312248 1.7659020110 H -5.8120600748 -1.2254438990 0.1320496077 H -5.3338806937 -0.7615010785 -2.8308947785 H -5.8312350714 0.5292896625 -1.7519768259 H -4.3842524912 0.7143753547 -2.7413247577 H -1.8320589344 4.2882234778 -0.4672040946 H -2.2554223434 4.6134061011 1.2115119821 H -3.9771512040 2.7919293666 1.1516470956 H -3.5964191317 2.4769215667 -0.5481049461 H -4.2854212569 4.0236211399 -0.0697033472 --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 Spirotetramat CONF58 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 Spirotetramat CONF58 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 Spirotetramat CONF58 water 0 1