%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pydiflumetofen/octanol/CONF7/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization pydiflumetofen CONF7 octanol 0 1 Cl -0.0416439507 -1.2682022465 2.7133443896 Cl -3.7458454322 -0.9663875028 -1.2383802264 Cl -2.0405990648 3.4461753453 1.2326191940 F 2.3766172666 3.1366253002 -2.2578602371 F 0.3917251055 2.7449292182 -1.4492114350 O 1.3210827005 -2.6667557573 0.1606106850 O -0.1164236914 -0.2092152161 -1.8199990855 N 0.4745927042 -2.0888039772 -0.7482581153 N 3.3891185771 0.8131950525 0.7467167799 N 3.1081645594 1.7641056831 -0.1361736835 C -0.8256299516 -2.7365791353 -0.8683059990 C -1.6874121526 -2.5099917463 0.3915489480 C -0.7054319586 -4.2185744607 -1.1773532686 C -1.8548359874 -1.0520396310 0.6990884112 C 0.6462914686 -0.7667187255 -1.0434452025 C 1.7662527058 -0.0194189476 -0.4555493500 C -1.0945036964 -0.3850315922 1.6601116346 C -2.7179070517 -0.2451155573 -0.0459337856 C 2.1237500221 1.2879373275 -0.8634243604 C 2.6259583795 -0.2724845773 0.6010895839 C -1.1363735553 0.9891211972 1.8391476627 C -2.7988755996 1.1262799263 0.1036354238 C 1.5137518573 2.1379124109 -1.9263437189 C -1.9827945904 1.7323141914 1.0412738909 C 2.3949108053 -3.3432940419 -0.4850582815 C 4.4808309270 0.9900439736 1.6750394834 H -1.3086065104 -2.2567291602 -1.7172130279 H -1.2440442167 -3.0362110661 1.2362737957 H -2.6601314103 -2.9745983833 0.2225926594 H -0.2542097627 -4.7826227990 -0.3603768900 H -0.1279003059 -4.3905476428 -2.0855927079 H -1.7013900435 -4.6297766193 -1.3438176986 H 2.7399412234 -1.1158142245 1.2572792715 H -0.5170618030 1.4645454678 2.5861370392 H -3.4745738949 1.7092992488 -0.5059127253 H 1.2582434672 1.5943130002 -2.8319935619 H 3.0105748409 -2.6620964417 -1.0772337233 H 3.0036057819 -3.7656514012 0.3132492643 H 2.0442088809 -4.1534480403 -1.1262159924 H 4.3276008597 0.3487238961 2.5384021635 H 5.4305727814 0.7365145797 1.2063024723 H 4.5085084317 2.0250024330 2.0042296546 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pydiflumetofen/octanol/CONF7/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx Wavefunction pydiflumetofen CONF7 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pydiflumetofen/octanol/CONF7/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum pydiflumetofen CONF7 octanol 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pydiflumetofen/octanol/CONF7/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point pydiflumetofen CONF7 octanol 0 1