%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Spirotetramat CONF21 water 0 1 O 6.0449549669 -0.1846989493 0.1068822227 O 0.0476160805 1.1192631507 0.8896234796 O -0.0162430267 -3.0620559026 -1.3398979842 O -1.2279115924 2.7788860944 1.3200142312 O -1.2643024486 1.9216923499 -0.7630161935 N 1.6490963716 -1.6335616986 -0.6611269633 C 1.7931268036 -0.3652664164 0.0228352442 C 2.5455579363 -0.5188638418 1.3526688436 C 2.4927884306 0.6806538880 -0.8553417067 C 4.0148013648 -0.8573425011 1.1306201177 C 3.9625141781 0.3350439751 -1.0707324960 C 4.6909719577 0.1928819571 0.2629916906 C 0.3502315021 -0.0294281864 0.2358456780 C -0.4817811527 -0.9656040009 -0.2221249860 C 0.3702714012 -2.0247930896 -0.8159357928 C -1.9465078179 -1.0155893587 -0.2035662372 C 6.8838009319 0.8461112342 -0.3629115607 C -2.6758951390 -0.9315000742 0.9872078954 C -2.6124051014 -1.1309821320 -1.4269732070 C -0.8800191090 1.9510197415 0.3710094649 C -3.9961598245 -1.1340466118 -1.5118264171 C -4.0686858245 -0.9333253577 0.8938624474 C -2.0308955253 -0.8409859051 2.3394345060 C -4.7183206806 -1.0246714973 -0.3233879191 C -4.6991697304 -1.2542700988 -2.8307909743 C -2.3243102008 3.6816406609 1.0503189653 C -3.6551560798 2.9748409417 1.1406586280 H 2.0607583511 -1.2860864552 1.9594226092 H 2.4716729990 0.4219670868 1.9039899941 H 2.4185536985 1.6543182326 -0.3636978201 H 1.9748396959 0.7641872492 -1.8122296659 H 4.5150799878 -0.9206603976 2.0992701168 H 4.1131941106 -1.8412213253 0.6597648710 H 4.0568306025 -0.5982761995 -1.6356725417 H 4.4170556209 1.1190759771 -1.6799714402 H 4.6394507178 1.1610209112 0.7875206476 H 2.4366949777 -2.2036434563 -0.9307007410 H 6.6682422563 1.1362837179 -1.3959789145 H 6.8148856708 1.7437529182 0.2623287984 H 7.9103000344 0.4819544657 -0.3243721338 H -2.0291071163 -1.1945577596 -2.3382822655 H -4.6543745538 -0.8659035382 1.8031099006 H -1.8938683744 0.1957559889 2.6538295112 H -2.6593700167 -1.3151106094 3.0929558669 H -1.0553047820 -1.3250010466 2.3696006143 H -5.8017331939 -1.0195509177 -0.3519457339 H -3.9928537385 -1.2794568676 -3.6595057303 H -5.2983032442 -2.1650695322 -2.8787666584 H -5.3791556461 -0.4176042897 -2.9972427401 H -2.1807829649 4.1617574105 0.0821498737 H -2.2338396703 4.4432795927 1.8210129942 H -3.7787302334 2.4843042660 2.1062289218 H -3.7897896503 2.2356184769 0.3515783584 H -4.4500809189 3.7138502235 1.0387858477 --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 CONF21 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 CONF21 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 CONF21 water 0 1