%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/dimoxystrobin/water/CONF35/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization dimoxystrobin CONF35 water 0 1 O 0.2167452356 -0.3916805540 -1.6569876428 O -3.3433324981 -0.2656882245 -0.9646579674 O -1.0818117104 -2.5248950040 1.4809251578 N -2.6014828836 -1.0724213190 -0.1785029869 N 0.1741619274 -0.7158389853 1.9458531224 C -0.8356908442 1.6260000778 -0.7228968358 C -0.3639636819 0.8656040511 -1.9365989899 C -1.4433951533 1.0051982657 0.3713594320 C 1.4441402825 -0.4624599792 -1.0821021193 C 1.9494275292 -1.7617689576 -0.9229026000 C 2.1692745709 0.6427628761 -0.6593882022 C -0.6892824710 3.0095273016 -0.7105481085 C 3.4096815481 0.4853098778 -0.0366907013 C -1.8783315006 1.7735033613 1.4497307923 C 3.1815787826 -1.8970601723 -0.3032902163 C -1.6737500832 -0.4575078433 0.4411878811 C 3.9062592012 -0.7968401788 0.1442055830 C -1.1373197694 3.7715725799 0.3572507754 C -1.7314021960 3.1512894661 1.4458014611 C 1.1815610418 -2.9557387976 -1.4051447719 C 4.1791432171 1.6936746583 0.4080500656 C -0.8367710258 -1.3312127086 1.3304238614 C 1.1262350969 -1.4395276022 2.7540235113 C -4.3489137725 -1.0113585055 -1.6357773113 H -1.2141085608 0.6448669571 -2.5848610567 H 0.3223729895 1.4898676797 -2.5175232135 H 1.7862710749 1.6465629324 -0.7917970827 H -0.2076290908 3.4963009387 -1.5502717995 H -2.3419127276 1.2847901009 2.2977619837 H 3.5866535043 -2.8924874645 -0.1635953486 H 4.8618876762 -0.9439521471 0.6322008827 H -1.0110776975 4.8459980635 0.3427390822 H -2.0763687234 3.7335337432 2.2896641462 H 1.7325230497 -3.8716265199 -1.1956230378 H 0.2056679329 -3.0455436736 -0.9263389704 H 1.0040612035 -2.9189581653 -2.4815940668 H 5.0207355869 1.4189957503 1.0426223459 H 4.5779329384 2.2446340024 -0.4459372362 H 3.5488984652 2.3866500670 0.9664893555 H 0.3904478183 0.2398645633 1.7094433368 H 1.5884755568 -2.2573868605 2.2015479641 H 0.6584578209 -1.8499405299 3.6482916086 H 1.9053367121 -0.7514961257 3.0647475091 H -5.0339797799 -1.4850530788 -0.9308530652 H -3.9162399305 -1.7707998048 -2.2887770926 H -4.8997301214 -0.2942698662 -2.2401571599 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/dimoxystrobin/water/CONF35/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction dimoxystrobin CONF35 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/dimoxystrobin/water/CONF35/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 dimoxystrobin CONF35 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/dimoxystrobin/water/CONF35/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point dimoxystrobin CONF35 water 0 1