%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/dimoxystrobin/water/CONF43/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization dimoxystrobin CONF43 water 0 1 O 1.4111281202 1.5917866826 -1.2843621853 O -2.6326703523 -0.4494204294 -1.9299455604 O -0.2164995400 -0.9063041533 1.9124767041 N -1.9579695857 -1.2329312980 -1.0705025555 N -0.6560133976 -2.7542496448 0.6958072026 C -0.8982624164 1.8008147002 -0.6126419790 C 0.0598417935 1.4496706924 -1.7192536806 C -1.5553344339 0.8446167874 0.1646144908 C 1.9365982696 0.5691401875 -0.5395258129 C 2.4821705613 0.8857687901 0.7072607022 C 1.9786083804 -0.7262033916 -1.0353508960 C -1.0895688596 3.1493272946 -0.3165321473 C 2.5723343798 -1.7544988251 -0.3068115102 C -2.3857674407 1.2494097780 1.2090294291 C 3.0825501571 -0.1462017230 1.4191786428 C -1.4362179261 -0.6093150265 -0.0901626382 C 3.1268989966 -1.4452930517 0.9294945755 C -1.9192724997 3.5494432117 0.7169583625 C -2.5713432757 2.5935352082 1.4841457516 C 2.4223672619 2.2815667266 1.2502934505 C 2.6048432383 -3.1487289704 -0.8578657653 C -0.7066837683 -1.4431686547 0.9234473747 C 0.0500923019 -3.6593880221 1.5699243745 C -3.1881419801 -1.2247166438 -2.9851652005 H -0.1174001988 0.4520258399 -2.1220703990 H -0.0587910605 2.1518332377 -2.5443935205 H 1.5581445124 -0.9444020843 -2.0110882727 H -0.5834191536 3.8967858217 -0.9158036550 H -2.8987177057 0.5047190892 1.8044812183 H 3.5170992642 0.0703428750 2.3880221699 H 3.5970041260 -2.2237162664 1.5183155598 H -2.0588142714 4.6025891477 0.9222614005 H -3.2230850298 2.8932455934 2.2939354884 H 1.3938039331 2.6296016825 1.3620771020 H 2.8941044625 2.3304684030 2.2306303263 H 2.9327771943 2.9976930295 0.6043869102 H 3.1941790379 -3.2007568818 -1.7751023608 H 3.0387007998 -3.8496258677 -0.1459852105 H 1.6024991049 -3.5017689003 -1.1054776853 H -1.0427583853 -3.1112029676 -0.1632849315 H -0.4621541332 -3.7793232973 2.5257841721 H 1.0672278654 -3.3208026862 1.7665948228 H 0.1009501895 -4.6319428852 1.0895151404 H -3.7031268653 -0.5195530524 -3.6332057463 H -3.9060717426 -1.9546195947 -2.6082828928 H -2.4123372065 -1.7362287680 -3.5562569880 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/dimoxystrobin/water/CONF43/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 CONF43 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/dimoxystrobin/water/CONF43/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 CONF43 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/dimoxystrobin/water/CONF43/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point dimoxystrobin CONF43 water 0 1