%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization flufenoxystrobin CONF130 water 0 1 Cl -0.1482835777 -2.1497904972 2.2829150399 F -5.4394528008 -1.1710678298 2.5471863806 F -5.8816511119 0.0186247770 0.8104252871 F -5.3403232594 -2.0486181687 0.5923731148 O 0.4047380252 0.3025046370 0.9223570322 O 2.6595621985 2.4011088416 -3.0717185482 O 1.8092265477 -1.6524009460 -0.9910152750 O 1.4524394864 0.9036690621 -4.2100798586 C 2.3758768857 1.4220938539 0.2674231638 C 3.0144988709 0.8843148863 -0.8548238194 C 0.8830317656 1.5176223665 0.3370811658 C 3.1393484428 1.8605114190 1.3452361963 C 4.4048967786 0.8151017628 -0.8774613965 C 2.2369346929 0.3900058374 -2.0164232998 C -0.9115127499 0.0917137164 0.9873862045 C 4.5228603233 1.7812125999 1.3173179577 C 5.1572993465 1.2578106734 0.1996197954 C -3.6283651591 -0.5486760313 1.1839933802 C -1.3346088893 -1.0895104012 1.6135929532 C -1.8820728757 0.9496414580 0.4820196734 C -2.6701683893 -1.4120227683 1.7094710849 C -3.2275693796 0.6295562938 0.5777291411 C 2.0629698254 1.2209972040 -3.2078948168 C 1.6704455119 -0.8294249459 -2.0156091049 C -5.0685200736 -0.9296967004 1.2814199983 C 2.5698526558 3.3159661620 -4.1621374399 C 1.0483108257 -2.8580605669 -1.0408408088 H 0.5790001681 2.3648516513 0.9580355674 H 0.4537686135 1.6542112408 -0.6579390086 H 2.6415672424 2.2765062706 2.2129086071 H 4.9012986508 0.4059347079 -1.7483770462 H 5.1026865845 2.1299073447 2.1616219530 H 6.2369552584 1.1959375785 0.1646607590 H -1.6060774597 1.8793978233 0.0054687626 H -2.9568616862 -2.3352119961 2.1969568383 H -3.9479631072 1.3224077909 0.1669086348 H 1.0915504735 -1.1849832410 -2.8648652749 H 3.1218481733 4.1995478412 -3.8548789797 H 1.5366199978 3.5942127071 -4.3684858863 H 3.0226242437 2.9088440807 -5.0660586118 H -0.0157946378 -2.6512417865 -0.9265238301 H 1.2149795012 -3.3868267983 -1.9803428844 H 1.3857077727 -3.4800868581 -0.2176079777 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction flufenoxystrobin CONF130 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=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 flufenoxystrobin CONF130 water 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point flufenoxystrobin CONF130 water 0 1