%chk=/home/apulgar/almacen/pesticidas/G1/Terbufos/gaussian/water/CONF658/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Terbufos CONF658 water 0 1 S 2.3180815955 0.5168656486 -0.4950428225 S -0.0609337967 -0.3213870649 -2.1715089723 S -3.2004103394 0.2734540897 -1.4433131710 P -1.4851239938 -0.1315603390 -0.6698302409 O -1.3360695859 -1.4955862621 0.1429543377 O -0.9317155521 0.9215801259 0.4029484675 C 2.9549998170 -0.2429054010 1.0626015365 C 1.8158209746 -0.6493900812 1.9869500594 C 3.8467698238 -1.4350291744 0.7469050276 C 3.7716609236 0.8732106513 1.7057638257 C 1.4475729975 -0.8527698979 -1.2915612193 C -2.3727840792 -2.0135764311 1.0060466959 C -0.8400391937 2.3183422508 0.0674891051 C -2.4696444515 -1.2645422114 2.3113250420 C -0.1536310031 3.0357163951 1.1986144613 H 1.1767639072 -1.4157196208 1.5477384055 H 2.2288328401 -1.0680444586 2.9078093325 H 1.1936023926 0.2030856610 2.2569398748 H 4.6676049037 -1.1562930980 0.0858794021 H 3.2919003139 -2.2480683030 0.2764836947 H 4.2765753340 -1.8289559293 1.6710714620 H 3.1576867258 1.7490233683 1.9242870426 H 4.1891009745 0.5186441965 2.6500582927 H 4.6026371664 1.1865995170 1.0723116846 H 2.0606624202 -1.3019005058 -2.0726404433 H 1.2029917249 -1.6399198712 -0.5809233507 H -3.3241418422 -2.0032429075 0.4708031328 H -2.0938984305 -3.0518496001 1.1740627952 H -0.2751227482 2.4338614162 -0.8603281678 H -1.8457805192 2.7107931480 -0.0949149938 H -2.8419384534 -0.2490361814 2.1785558738 H -3.1706592948 -1.7877877280 2.9621258348 H -1.5072524093 -1.2227230401 2.8219340586 H -0.6962375975 2.9194864194 2.1367246455 H 0.8670330339 2.6785193886 1.3344917290 H -0.1105033774 4.1000689811 0.9678335804 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Terbufos/gaussian/water/CONF658/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Terbufos CONF658 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Terbufos/gaussian/water/CONF658/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 Terbufos CONF658 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Terbufos/gaussian/water/CONF658/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Terbufos CONF658 water 0 1