%chk=/home/apulgar/almacen/pesticidas/28_herbicides/tetflupyrolimet/gaussian/octanol/CONF11/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization tetflupyrolimet CONF11 octanol 0 1 F -4.2684466123 -0.5818247554 3.0731071841 F -2.1451709860 -0.9201580606 3.0145188563 F -2.9271406497 1.0451835094 2.6506531063 F 3.9214367847 2.2026911449 0.7517465299 O 2.0321737522 1.5681143431 -2.7463801485 O 1.2103757697 -1.5325857829 -0.6887501315 N 0.0272116078 1.0571075941 -3.7267991946 N 2.0189342594 0.4404691094 0.1035205078 C -0.9336507129 -0.2877561587 -2.0840975395 C 0.2248791635 0.4988800838 -1.4894897811 C -1.2599071415 0.5162726828 -3.3497660727 C 0.9053726041 1.1055737103 -2.7161855435 C -2.1203196278 -0.5416016241 -1.1946278302 C 1.1932850071 -0.3171802299 -0.6563669420 C 0.2318861596 1.6696430798 -5.0130214911 C -2.1102477868 -0.2739122436 0.1667467117 C -3.2693346608 -1.1076289985 -1.7500056259 C -3.2238479701 -0.5582616482 0.9555468267 C -4.3768237175 -1.3825971501 -0.9694515418 C -4.3624114929 -1.1104454963 0.3922973987 C 3.0853264683 0.0135390362 0.8979803039 C -3.1491156373 -0.2575487843 2.4204386821 C 4.0625079896 0.9520476738 1.2285068023 C 3.2375184471 -1.2749635032 1.4088655554 C 5.1514284250 0.6552693371 2.0148558465 C 4.3342304217 -1.5895557095 2.1996109146 C 5.2920549537 -0.6360665559 2.5044421332 H -0.5470600048 -1.2585072604 -2.4100225711 H -0.1431579213 1.3509760729 -0.9012274412 H -1.6609549307 -0.1073493241 -4.1492519147 H -1.9794806006 1.3177901974 -3.1514090266 H -0.3914647712 2.5586324098 -5.1291579472 H -0.0186169205 0.9678771996 -5.8088879331 H 1.2732547353 1.9599097666 -5.1262912848 H -3.2971249884 -1.3413970227 -2.8076699804 H 1.9338525051 1.4394048771 -0.0172550882 H -5.2593280126 -1.8177643789 -1.4192282261 H -5.2361592967 -1.3351809710 0.9880959922 H 2.5027557604 -2.0352959148 1.2002480888 H 5.8797898230 1.4248836270 2.2356047069 H 4.4304068747 -2.5968016507 2.5826752648 H 6.1439048820 -0.8877587824 3.1214478268 H -1.2327174374 0.1602817107 0.6301390954 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/28_herbicides/tetflupyrolimet/gaussian/octanol/CONF11/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx Wavefunction tetflupyrolimet CONF11 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/28_herbicides/tetflupyrolimet/gaussian/octanol/CONF11/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum tetflupyrolimet CONF11 octanol 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/28_herbicides/tetflupyrolimet/gaussian/octanol/CONF11/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point tetflupyrolimet CONF11 octanol 0 1