%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Spirotetramat CONF61 water 0 1 O 5.9553990684 -0.0428585775 0.1806568371 O -0.0668995202 1.0462884201 0.8348721836 O 0.0111063883 -3.1469966621 -1.3801308753 O -1.2315592702 2.7902372322 1.2183836229 O -1.4370727244 1.8041066718 -0.7946836770 N 1.6221008157 -1.6721844186 -0.6717402680 C 1.7149222044 -0.3955064218 0.0031214810 C 2.4445474021 -0.5132691878 1.3490317866 C 2.3957224764 0.6656491164 -0.8723818162 C 3.9311529649 -0.7916495477 1.1630875742 C 3.8823000604 0.3765606166 -1.0502340796 C 4.5834552651 0.2784566840 0.3013493597 C 0.2588366962 -0.0984171874 0.1868888829 C -0.5376376971 -1.0578911520 -0.2849606288 C 0.3579011123 -2.0960069414 -0.8556954596 C -1.9991077639 -1.1760176217 -0.2873190023 C 6.7624715821 1.0206418576 -0.2716591811 C -2.7420361387 -1.1649278171 0.9015900133 C -2.6451765540 -1.3126772895 -1.5146722597 C -0.9809756304 1.8857428069 0.3101855345 C -4.0277599664 -1.4170535033 -1.6102819051 C -4.1259738598 -1.2804518560 0.7992454279 C -2.1048542439 -1.0369163489 2.2540432330 C -4.7605662179 -1.3989335388 -0.4275650165 C -4.6954656622 -1.5312591844 -2.9482955369 C -2.1995146193 3.8108748447 0.8867462253 C -2.2453995406 4.7809348999 2.0357184788 H 1.9780986131 -1.2972678523 1.9486744201 H 2.3206690877 0.4253603039 1.8949089535 H 2.2712517427 1.6424657249 -0.3973301403 H 1.8969545156 0.7157851715 -1.8418077000 H 4.4102802985 -0.8243059827 2.1439889534 H 4.0827618896 -1.7750011959 0.7050076527 H 4.0265252649 -0.5588374356 -1.6010782800 H 4.3193864844 1.1711589510 -1.6585843366 H 4.4786246884 1.2481532892 0.8147904228 H 2.4303786471 -2.2225345568 -0.9204142463 H 6.5600196893 1.3003016550 -1.3102714274 H 6.6424269396 1.9157337831 0.3494855173 H 7.8016816446 0.6986151482 -0.2077009160 H -2.0528357453 -1.3151994364 -2.4228844176 H -4.7209668801 -1.2826886038 1.7048363158 H -2.7425814184 -1.4757660473 3.0206110104 H -1.1350281246 -1.5314924688 2.3047919513 H -1.9523849940 0.0079467302 2.5315789344 H -5.8401066358 -1.4848704432 -0.4634961815 H -4.5790110473 -0.6137338738 -3.5277732832 H -4.2653698584 -2.3386691290 -3.5421090739 H -5.7629062788 -1.7229663932 -2.8468848403 H -3.1692114238 3.3375833993 0.7293716043 H -1.8999004169 4.3080618324 -0.0357535768 H -1.2845834612 5.2704668166 2.1882048841 H -2.5448034549 4.2958944442 2.9637812088 H -2.9803326153 5.5528535386 1.8113434464 --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 CONF61 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 CONF61 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 CONF61 water 0 1