%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/dimoxystrobin/water/CONF39/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization dimoxystrobin CONF39 water 0 1 O 0.1959435070 -0.3217363591 -1.7891994093 O -3.1061118886 -0.4675243439 -1.0864364011 O -0.8919190676 -2.4633660931 1.6031134304 N -2.3626464875 -1.1853140396 -0.2221848872 N 0.2366881527 -0.5720236839 2.0599116220 C -0.8741679746 1.6531008189 -0.7665987405 C -0.3778510146 0.9486789989 -2.0057183360 C -1.4152661088 0.9959636460 0.3429004794 C 1.3738348716 -0.4293380687 -1.1246599586 C 1.8136286991 -1.7430044062 -0.9047258799 C 2.1158508903 0.6575153098 -0.6815006678 C -0.8237565699 3.0443615467 -0.7588211508 C 3.3094315276 0.4673498738 0.0173036397 C -1.8894512556 1.7424602217 1.4221566874 C 3.0005785754 -1.9106538630 -0.2078979019 C -1.5368524059 -0.4785118094 0.4418229028 C 3.7422464265 -0.8291863650 0.2552776778 C -1.3104323249 3.7803534039 0.3092954598 C -1.8468609218 3.1265846642 1.4081994440 C 1.0358002394 -2.9174588132 -1.4186937340 C 4.0835784626 1.6524327753 0.5142551342 C -0.7019929274 -1.2654507903 1.4136494920 C 1.1671438050 -1.2112826548 2.9597766090 C -3.9593169339 -1.3197554668 -1.8369446792 H -1.2161674527 0.7677326712 -2.6808231635 H 0.3172132576 1.6036148050 -2.5411794834 H 1.7856053026 1.6719422018 -0.8659053752 H -0.3889455087 3.5595206422 -1.6071434556 H -2.3070541113 1.2288951578 2.2793455906 H 3.3570533017 -2.9172109738 -0.0227421891 H 4.6642651275 -1.0023605888 0.7964484363 H -1.2603123658 4.8608575896 0.2863421479 H -2.2260490426 3.6879951283 2.2515001006 H 0.9769336783 -2.9191450526 -2.5089297402 H 1.5114118904 -3.8496941528 -1.1169217651 H 0.0105270683 -2.9368992957 -1.0473050263 H 4.0637957833 2.4737189978 -0.2021208437 H 3.6652632808 2.0330100975 1.4485210781 H 5.1250534910 1.3969006086 0.7057657315 H 0.4335656205 0.3757223222 1.7788524064 H 1.8374877035 -0.4540767479 3.3538335766 H 1.7634260989 -1.9732228789 2.4569905283 H 0.6491655224 -1.6769617209 3.7972971365 H -4.5313102226 -0.6676862446 -2.4929659388 H -4.6463182749 -1.8692166702 -1.1913681662 H -3.3872409314 -2.0237305433 -2.4434242685 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/dimoxystrobin/water/CONF39/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction dimoxystrobin CONF39 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/dimoxystrobin/water/CONF39/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 dimoxystrobin CONF39 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/dimoxystrobin/water/CONF39/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point dimoxystrobin CONF39 water 0 1