%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fenaminstrobin/octanol/CONF9/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization fenaminstrobin CONF9 octanol 0 1 Cl -3.3274375440 2.0062680507 2.4940565057 Cl -3.7893361480 -2.1489554331 -0.9674449335 O 1.7822468359 2.0224455918 -0.7818264364 O 1.1204359875 -1.7002621488 -0.1974636855 O 4.4705769514 0.5271236014 -2.3443682225 N 1.6763939343 -1.2246673150 -1.3286948696 N 2.6125938329 -0.0369666236 -3.5169438517 N 0.7758319292 1.5942838758 0.0295734873 C 3.4842122609 1.0340221617 0.6748941219 C 3.3883323239 -0.2512966067 0.1330568054 C 2.9433386263 2.2602388109 -0.0117876325 C 4.1342695994 1.2023991356 1.8929945561 C 3.9363342396 -1.3313154220 0.8217701392 C 2.7171860773 -0.5151405624 -1.1602087295 C 4.6948292734 0.1271761901 2.5640967712 C 4.5952750842 -1.1469315118 2.0263260607 C 3.3473133355 0.0435969841 -2.4053171599 C -3.5870875913 -0.1256115508 0.8169206134 C -0.3049549385 1.2969234681 -0.5847423269 C -2.5626782645 0.4231017012 -0.0810820042 C -1.3420391401 0.7942120976 0.3111281910 C -3.9985305926 0.4863408267 2.0063904457 C -4.2384903999 -1.3197754246 0.4869535660 C -0.5573801267 1.3921222336 -2.0537986827 C -4.9783058496 -0.0618671129 2.8194940670 C -5.2199196408 -1.8870394636 1.2793601740 C -5.5841437563 -1.2510643895 2.4541173971 C 3.0423132765 0.4277455169 -4.8111250336 C -0.0104350790 -2.4985863997 -0.5091010239 H 3.6740494408 2.6558861053 -0.7201517455 H 2.7533770050 3.0429297038 0.7290239984 H 4.1974642721 2.1943973398 2.3249289376 H 3.8624497191 -2.3262334741 0.4009670818 H 5.1980824613 0.2837136574 3.5095305203 H 5.0211796278 -1.9962106494 2.5443673330 H -2.8389385657 0.4836805063 -1.1281162245 H -1.0455796394 0.7041409055 1.3496424985 H 1.6975280449 -0.4539618055 -3.4427099678 H -0.7726668685 0.4040612957 -2.4640967422 H 0.2774611989 1.8141397822 -2.6050393096 H -1.4332453821 2.0140645067 -2.2452486195 H -5.2713207809 0.4418111853 3.7303687801 H -5.6904493318 -2.8156280837 0.9869537177 H -6.3487228507 -1.6824342039 3.0857470982 H 3.9920874578 0.9479698158 -4.7272049389 H 2.3091720327 1.1186302727 -5.2276924430 H 3.1649122832 -0.4032761403 -5.5073288187 H 0.2795206276 -3.4159338916 -1.0266690506 H -0.4703726681 -2.7565259860 0.4426667642 H -0.7307898075 -1.9529624174 -1.1189403133 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fenaminstrobin/octanol/CONF9/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 fenaminstrobin CONF9 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fenaminstrobin/octanol/CONF9/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 fenaminstrobin CONF9 octanol 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fenaminstrobin/octanol/CONF9/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point fenaminstrobin CONF9 octanol 0 1