%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pydiflumetofen/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization pydiflumetofen CONF8 water 0 1 Cl -0.2858481438 -1.3592918883 2.6670693449 Cl -3.6255125560 -0.8815651022 -1.5809062756 Cl -2.6291975036 3.3010380597 1.5801498891 F 2.3698378228 1.4995420883 -3.0675362101 F 2.6272818323 3.3658374133 -1.9636832629 O 1.3413922901 -2.5115950088 0.1399992837 O 0.0481555573 0.0208058345 -1.8469580252 N 0.5687109196 -1.9031980914 -0.8142245629 N 3.2901122962 0.9552537510 1.0648655512 N 3.1947056164 1.8773016876 0.1122480379 C -0.6970361937 -2.5704117989 -1.0878453189 C -1.6575913706 -2.4694180534 0.1121095202 C -0.5069290316 -4.0205787850 -1.4964925644 C -1.9310372652 -1.0538537127 0.5242918145 C 0.7487860150 -0.5720086268 -1.0350088094 C 1.8228951388 0.1444211906 -0.3351712795 C -1.3228863816 -0.4474233823 1.6241407882 C -2.7868480870 -0.2322284264 -0.2130562093 C 2.3078985327 1.4101977438 -0.7365355518 C 2.5018027900 -0.1003774863 0.8465276029 C -1.5199241392 0.8827905534 1.9623274297 C -3.0183752904 1.0967970564 0.0895345151 C 1.9571358650 2.1849384309 -1.9604830495 C -2.3666837750 1.6427117360 1.1805879589 C 2.4932714567 -3.1267332024 -0.4306387599 C 4.1905060235 1.1559330114 2.1765270613 H -1.1267487775 -2.0380168628 -1.9335717586 H -1.2560166159 -3.0415094669 0.9474745460 H -2.5916429511 -2.9594181386 -0.1674113890 H -1.4737481092 -4.4412519434 -1.7725224221 H -0.1043341422 -4.6324896312 -0.6891346599 H 0.1468735802 -4.1079612267 -2.3636523555 H 2.4715052697 -0.9193652186 1.5418025442 H -1.0232138494 1.3107203533 2.8211541990 H -3.6894611379 1.6919315809 -0.5130682443 H 0.8951260546 2.3917236809 -2.0627067209 H 3.1409166399 -2.3990528692 -0.9241720835 H 3.0337571513 -3.5719280453 0.4024968423 H 2.2285116021 -3.9102201428 -1.1419785248 H 5.2202115325 1.1945996989 1.8289945113 H 3.9492148835 2.0826953896 2.6909103573 H 4.0835818354 0.3286105719 2.8708149671 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pydiflumetofen/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction pydiflumetofen CONF8 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pydiflumetofen/water/CONF8/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 pydiflumetofen CONF8 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pydiflumetofen/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point pydiflumetofen CONF8 water 0 1