%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Fenoxycarb CONF7 water 0 1 O -3.2740433026 -1.8840403813 0.3298738295 O 2.2408232315 -1.9423157602 0.3278036400 O -0.8931024047 1.9144987958 -0.8344030351 O -2.7860534192 2.4324372059 0.2795318864 N -2.7062353511 0.6918273804 -1.1763343147 C -4.0205042418 -0.6787793914 0.4493545306 C -3.9993712446 0.1472108715 -0.8243943648 C -1.9122781371 -1.8235699324 0.3517775969 C 0.8653414201 -1.8667363413 0.3281768755 C -1.1928944362 -1.0333017715 1.2454726342 C -1.2292294288 -2.6393453439 -0.5424753703 C 0.1921839368 -1.0571556468 1.2322673094 C 0.1576217405 -2.6601661252 -0.5575097374 C 2.9680692665 -0.8019837081 0.1135985304 C -2.1731583881 1.7278311309 -0.5043671637 C 4.2573163610 -0.7807367130 0.6325405001 C 2.4818856416 0.2785487595 -0.6125112564 C -0.2001918617 3.0310713963 -0.2568712806 C 5.0592671168 0.3311987546 0.4261525966 C 3.2953853645 1.3878648086 -0.8039689507 C 4.5823441461 1.4241491604 -0.2865404306 C 0.2797774645 2.7653022729 1.1510969782 H -5.0477592650 -0.9881747579 0.6429626315 H -3.6972596481 -0.0864818587 1.3084361588 H -4.3375301488 -0.4611916132 -1.6623691289 H -4.7222614955 0.9566276053 -0.7176520193 H -1.6948031865 -0.3974452427 1.9630375481 H -1.7841294476 -3.2554291248 -1.2386834697 H 0.7418153639 -0.4447979033 1.9362476053 H 0.6820468739 -3.2921699077 -1.2628768885 H -2.0815804523 0.1046616041 -1.7082119490 H 4.6262766620 -1.6294941718 1.1945428076 H 1.4819633131 0.2686873998 -1.0264361100 H -0.8252035871 3.9241986532 -0.2998928760 H 0.6481508526 3.1930597302 -0.9203194196 H 6.0609658031 0.3439885482 0.8354817937 H 2.9119715330 2.2294104698 -1.3667983214 H 5.2083165267 2.2931749535 -0.4377806308 H 0.9371355241 1.8971867620 1.1941512548 H 0.8528418398 3.6277682965 1.4936335925 H -0.5414199357 2.6149795954 1.8505327791 --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 Fenoxycarb CONF7 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 Fenoxycarb CONF7 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 Fenoxycarb CONF7 water 0 1