%chk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/water/CONF471/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Tebupirimfos CONF471 water 0 1 S 1.4522174322 0.6358231251 2.2417322565 P 1.8768162071 0.0692678120 0.4623234302 O 3.2054136742 0.5934195197 -0.2219339519 O 0.7882353997 0.5274234212 -0.6723185835 O 1.9925921734 -1.5052365562 0.3387027651 N -2.6420299475 0.9107019495 0.3949337100 N -2.4318008382 -1.0932375436 -0.8138490907 C -4.6166547771 -0.5040939833 0.0703568054 C -5.3023308951 -0.3699154133 -1.2948853843 C -5.2680320643 0.4649702267 1.0527555065 C -4.7952813856 -1.9327628963 0.5924380872 C -3.1406251086 -0.2094248929 -0.1134195417 C 3.4966628504 2.0186659751 -0.3589542298 C -0.5454783150 0.2789082645 -0.4771808738 C -1.3522224240 1.1578947374 0.2151596477 C -1.1440515770 -0.8556007641 -0.9921257085 C 4.6751413080 2.3420088990 0.5280791249 C 3.7525083146 2.2858997315 -1.8232263250 C 2.3710249829 -2.1836729135 -0.8876527188 C 1.7591405787 -3.5583691346 -0.8712109411 H -5.1806983180 0.6349879329 -1.7037103559 H -6.3723438300 -0.5614326922 -1.1959032656 H -4.9032195145 -1.0800683986 -2.0190357688 H -5.2140277486 1.4984015532 0.7131670690 H -6.3230982587 0.2087300968 1.1624183846 H -4.8128234142 0.4109831834 2.0420591805 H -5.8552562069 -2.1347840172 0.7554830758 H -4.2809177823 -2.0779759826 1.5443896246 H -4.4212977457 -2.6757365392 -0.1102164987 H 2.6267635409 2.5940735098 -0.0296880596 H -0.9541903256 2.0784355237 0.6253999545 H -0.5719166445 -1.5765239628 -1.5665125874 H 5.5606089123 1.7774578997 0.2331457482 H 4.9102351737 3.4033389637 0.4482902973 H 4.4532793686 2.1268259526 1.5732072990 H 3.9654966938 3.3449689853 -1.9671574681 H 2.8844388045 2.0351668776 -2.4325411528 H 4.6106291599 1.7184956944 -2.1855707101 H 2.0277379252 -1.6201628998 -1.7566657941 H 3.4590867095 -2.2356971709 -0.9215246277 H 2.0921527780 -4.1369976586 -0.0100159074 H 0.6703331334 -3.5126138292 -0.8632536018 H 2.0653045714 -4.0923993721 -1.7704560620 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/water/CONF471/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Tebupirimfos CONF471 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/water/CONF471/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 Tebupirimfos CONF471 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/water/CONF471/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Tebupirimfos CONF471 water 0 1