%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/penthiopyrad_2/water/CONF288/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization penthiopyrad_2 CONF288 water 0 1 S 3.6739795762 0.7424331735 2.4959536763 F -2.6654885554 2.2883437702 -1.9165146400 F -1.1197696817 1.0318082922 -2.7333113417 F -3.1596827521 0.7793649829 -3.3611479052 O -0.4852389640 1.7512499490 0.0316978980 N -0.0070694275 0.0273098728 1.4193973582 N -3.5133321003 -1.5851851431 -0.2534273351 N -3.5702976604 -0.8435153316 -1.3488025138 C 2.6192762206 -1.5590326931 1.2772106812 C 3.1604942093 -1.4887372938 -0.1598396388 C 2.2203118786 -0.8805963286 -1.2004036949 C 2.3801574389 -0.1869077516 1.8367775698 C 3.5588873849 -2.3795266157 2.1580634189 C 2.9757605692 -0.6074443606 -2.4962898961 C 1.0184887504 -1.7782170802 -1.4764089469 C 1.2206173239 0.5384188749 1.8732505232 C 1.3774368088 1.8445204430 2.4223923058 C 2.6592030019 2.0915526121 2.7903592672 C -0.7521528292 0.6437047708 0.4702461597 C -1.9097934362 -0.1226945889 -0.0105638022 C -2.6124864668 0.0478702856 -1.2190254831 C -2.5383289669 -1.2012795435 0.5774389069 C -2.3867809418 1.0403176422 -2.3051097338 C -4.4542102568 -2.6646958419 -0.0378467306 H 1.6578407752 -2.0810709953 1.2628546781 H 3.4247877238 -2.5045981258 -0.4749377805 H 4.0987047084 -0.9233996645 -0.1415810591 H 1.8595966805 0.0824616260 -0.8231276835 H 4.5688114485 -1.9628022917 2.1715702346 H 3.2027710738 -2.4331869917 3.1869464297 H 3.6372337363 -3.3986229747 1.7780031157 H 3.3749377695 -1.5306102150 -2.9242387230 H 2.3254828427 -0.1532406514 -3.2465566193 H 3.8153696595 0.0712739850 -2.3348849581 H 1.3373879979 -2.7266082490 -1.9161935055 H 0.4486102923 -2.0157302642 -0.5772342289 H 0.3278108585 -1.3060837123 -2.1765896022 H 0.5702508602 2.5509455004 2.5465268858 H -0.1985893162 -0.9414989479 1.6231086540 H 3.0573468786 2.9880759043 3.2396127527 H -2.3740521826 -1.6989152424 1.5200672605 H -3.9192826608 -3.5822512942 0.1913709286 H -5.0309270107 -2.8060390585 -0.9453741812 H -5.1272636938 -2.4249186803 0.7816882056 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/penthiopyrad_2/water/CONF288/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction penthiopyrad_2 CONF288 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/penthiopyrad_2/water/CONF288/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 penthiopyrad_2 CONF288 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/penthiopyrad_2/water/CONF288/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point penthiopyrad_2 CONF288 water 0 1