%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pydiflumetofen/water/CONF9/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization pydiflumetofen CONF9 water 0 1 Cl -0.5053086507 -1.7663795700 2.8015921163 Cl -3.2216110720 -0.3633471412 -1.6835987019 Cl -1.1442855935 3.3611693241 1.5194240703 F 2.2383239266 3.2122003234 -2.1044080450 F 0.1752227471 2.5804374620 -1.8116466295 O 1.0505108023 -2.6327785016 0.2049680322 O 0.0992127094 -0.3929857593 -2.2584678606 N 0.4180917258 -2.1665138482 -0.9207918419 N 2.7864957535 0.9449133005 1.0509424050 N 2.6180660679 1.8755083034 0.1177625534 C -0.8992973849 -2.7638743142 -1.1126396903 C -1.8454909662 -2.4465493888 0.0698814118 C -0.8195581416 -4.2629023221 -1.3354452125 C -1.7747637854 -1.0140897891 0.5104428649 C 0.6416458678 -0.8567872606 -1.2636907096 C 1.5456051520 -0.0214952194 -0.4661016600 C -1.1196726686 -0.6050346065 1.6744962882 C -2.3009987260 0.0188115921 -0.2701075364 C 1.8670464657 1.3158912840 -0.8028088607 C 2.1722303243 -0.2022798594 0.7575008513 C -0.9288632726 0.7271973927 2.0066499910 C -2.1252959387 1.3595156413 0.0168055425 C 1.4431759111 2.1133101824 -1.9890543266 C -1.4153656871 1.6974800125 1.1535073570 C 2.2170441393 -3.3739505500 -0.1305171260 C 3.6282584721 1.2065428645 2.1959133743 H -1.2941495347 -2.3101205068 -2.0185127661 H -1.6150537544 -3.1078354232 0.9034445786 H -2.8602871148 -2.6969064071 -0.2443586858 H -0.4327182823 -4.7905699363 -0.4633349942 H -0.1968888653 -4.5036206179 -2.1965440059 H -1.8187156133 -4.6514518141 -1.5336025094 H 2.2203572765 -1.0340530363 1.4356958290 H -0.4011695527 0.9970045135 2.9099682684 H -2.5348412706 2.1194617483 -0.6319739617 H 1.4844759573 1.5633859808 -2.9254427358 H 2.9588874304 -2.7568977899 -0.6431807698 H 2.6357920998 -3.7159981892 0.8143367141 H 1.9855086655 -4.2420691543 -0.7501303599 H 4.6786376557 1.0749977732 1.9395680565 H 3.4668539933 2.2249637589 2.5392002501 H 3.3682825883 0.5185195058 2.9959528154 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pydiflumetofen/water/CONF9/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction pydiflumetofen CONF9 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pydiflumetofen/water/CONF9/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 pydiflumetofen CONF9 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pydiflumetofen/water/CONF9/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point pydiflumetofen CONF9 water 0 1