%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Tetraniliprole CONF6 water 0 1 Cl 0.7522968399 -1.8558856069 2.1690934490 F -6.3042120380 -0.3350262815 -0.8862782198 F -5.2073076988 1.2625123278 -1.8344511832 F -4.4731061262 -0.7613881158 -1.9220019918 O 1.8875579981 3.5779464467 -1.0758730985 O -1.2032533060 -0.3876460167 -0.7883175447 N 1.0182378646 1.1028231744 1.2865445432 N 2.3527861464 1.4408237637 -1.5684431206 N -0.0211798109 1.0533325793 2.1103796226 N -3.1818672823 1.1766763116 1.5622438184 N 3.3109927453 1.0925676552 1.4395167925 N -3.7224462878 1.4821211227 0.4171297396 N -3.4064460477 -0.0481979220 1.9449500458 N -0.4322724631 0.8208737713 -2.5249361024 N -4.1409395812 -0.5906673337 1.0342578050 N 2.3514717137 -5.2058189127 -0.4818206433 C 0.8364607381 2.0171651319 0.2901288623 C -0.8940214540 1.9172356033 1.6383211146 C 2.2994198043 0.0451961526 -1.4430190288 C -0.3978514490 2.5721317951 0.5007378187 C -2.2418437281 2.0500682697 2.2568422298 C 1.7481273055 2.3947740080 -0.8177135228 C 3.5242130574 -0.6421118647 -1.4289431302 C 1.0849430592 -0.6464886291 -1.3547951810 C 2.2014307553 0.3973868995 1.5861588278 C 3.5122071458 -2.0085993519 -1.2160526648 C 1.1024285468 -2.0118893377 -1.1100313309 C 2.3108699011 -2.6869038490 -1.0285003118 C 4.8213235994 0.0751190079 -1.6417931452 C -0.2786760945 -0.0367882837 -1.5171100084 C 2.1905674828 -0.9329285724 2.0020787497 C 3.4093399402 -1.5408967912 2.2559136206 C -4.3147122471 0.3561773565 0.1117361797 C 4.4744406976 0.5011005205 1.6704772609 C 4.5741302585 -0.8143435054 2.0868966978 C 2.3271918326 -4.0796171853 -0.7311387051 C -5.0834150944 0.1346922644 -1.1435784138 C -1.6895546220 1.4800593638 -2.7953350287 H -0.8888314203 3.3156887486 -0.1054496447 H -2.6208052196 3.0667578522 2.1871992684 H -2.2354587719 1.7501373524 3.3019069902 H 3.0448595667 1.8089112772 -2.2114707734 H 4.4483028069 -2.5496240696 -1.1711757719 H 0.1739081040 -2.5550310550 -1.0024777303 H 5.6617619228 -0.5853324612 -1.4398165664 H 4.9131359087 0.4170275839 -2.6757990897 H 4.9239862920 0.9527453875 -1.0050219566 H 3.4429819909 -2.5753174652 2.5696255733 H 0.3480036606 1.0220578763 -3.1296405818 H 5.3602800760 1.1061538411 1.5286993629 H 5.5390391133 -1.2635704574 2.2722810221 H -2.4298563067 0.7907136264 -3.2025304726 H -1.5115826794 2.2615924246 -3.5286343433 H -2.0946622216 1.9426677863 -1.8963876634 --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 Tetraniliprole CONF6 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 Tetraniliprole CONF6 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 Tetraniliprole CONF6 water 0 1