%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization fenpropimorph CONF91 water 0 1 O 1.1463870573 3.8178806417 -0.7130216846 N 2.2987523551 1.2548347336 -0.2706490590 C 2.4146165892 0.0157557347 0.4859617471 C 2.5397803181 -1.2324738423 -0.3950147365 C 0.9478628881 1.4132137531 -0.7844644913 C 2.6180941327 2.3987669677 0.5654292881 C 0.7858538726 2.7217472129 -1.5372276426 C 2.4645666730 3.6983903810 -0.2044619417 C 1.8747521700 -2.4468731117 0.2677089653 C 3.9976280751 -1.5340163336 -0.7200141736 C -0.6430016401 2.9266159254 -1.9921114213 C 2.7467598544 4.9037895701 0.6647341038 C 0.3818719960 -2.3078518677 0.3725876737 C -3.9381024041 -1.7165810097 0.5613170472 C -2.4308009347 -1.9406018518 0.5258694345 C -0.2642662577 -2.1795629165 1.5943855785 C -0.4072984290 -2.2634816763 -0.7777169413 C -1.6427355985 -1.9998050129 1.6707897398 C -1.7771573241 -2.0830419932 -0.7022862025 C -4.4782137371 -1.6331270481 1.9877492604 C -4.6475727322 -2.8727126911 -0.1536351981 C -4.2626569966 -0.4014646329 -0.1577132919 H 1.5634790028 -0.0825487370 1.1792707720 H 3.3044400210 0.0831688817 1.1185968503 H 2.0180680509 -1.0525701438 -1.3402746720 H 0.2039881466 1.3738664460 0.0321483210 H 0.7100036087 0.5940248218 -1.4661844447 H 3.6515281428 2.3143195175 0.9089395512 H 1.9813020258 2.4386020260 1.4672609708 H 1.4444464995 2.6997668680 -2.4185171173 H 3.1758128723 3.6884747143 -1.0441400671 H 2.1176931691 -3.3387151238 -0.3176091119 H 2.3053208344 -2.6031006884 1.2614820705 H 4.0841469914 -2.3684938619 -1.4180147787 H 4.5529910247 -1.7981028373 0.1830216776 H 4.4960939959 -0.6760846524 -1.1726199085 H -0.7543403705 3.8622293404 -2.5410829459 H -0.9446427449 2.1169674494 -2.6566250464 H -1.3329579277 2.9413351211 -1.1465491324 H 2.6400683674 5.8314398531 0.1014510556 H 2.0740772626 4.9444741365 1.5232712696 H 3.7690311266 4.8626302371 1.0404853523 H 0.3148956241 -2.2127010134 2.5102002833 H 0.0584351327 -2.3682975630 -1.7513774384 H -2.0899951744 -1.9010622709 2.6507806180 H -2.3449986323 -2.0494676870 -1.6245033474 H -4.0450094611 -0.8005269593 2.5448841371 H -4.2923415782 -2.5491086510 2.5516988225 H -5.5582699837 -1.4798732579 1.9626093994 H -4.4358645094 -3.8277811089 0.3308227109 H -4.3481305548 -2.9559011440 -1.1992124112 H -5.7293103889 -2.7236502879 -0.1359973778 H -3.9473760550 -0.4199779088 -1.2020007248 H -3.7696564076 0.4452164220 0.3238362354 H -5.3383466280 -0.2131769083 -0.1427463596 --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 fenpropimorph CONF91 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 fenpropimorph CONF91 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 fenpropimorph CONF91 water 0 1