%chk=/home/apulgar/almacen/pesticidas/3_herbicides/trifluralin/gaussian/water/CONF6/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization trifluralin CONF6 water 0 1 F -4.3573866977 -0.0612622611 1.3306226838 F -4.3685443605 -1.1166536093 -0.5395150938 F -4.4081507389 1.0334680605 -0.5161215605 O 1.2093540078 -2.5387841825 1.1080707734 O 1.0864734014 2.6155644606 -1.0794970008 O -0.0407664910 -3.3940697446 -0.3986787922 O -0.0702395878 3.3912788979 0.5422104436 N 1.8268254278 0.0196581755 -0.0563373440 N 0.3523152931 -2.4618470182 0.2617133387 N 0.2910645295 2.4930192359 -0.1802209036 C 2.5279605642 -0.8673623882 -0.9779547131 C 2.6274071044 0.9022256475 0.7842923732 C 0.4698533837 0.0144385120 0.0099255085 C 3.4393402688 -0.1142664371 -1.9412907649 C 3.6324396123 0.1413791033 1.6420312503 C -0.2927313961 -1.1720480039 0.0606554724 C -0.3171761099 1.1848252891 0.0182926853 C -2.3852372272 -0.0160018049 0.0525834704 C -1.6719123590 -1.2020998534 0.0348138899 C -1.6965272934 1.1845628468 0.0803503045 C 4.0370997968 -1.0696842474 -2.9634752821 C 4.3767513545 1.0930702497 2.5657745552 C -3.8804585839 -0.0387621322 0.0798835309 H 1.7872026735 -1.3982882174 -1.5785973189 H 3.1120456955 -1.6214956553 -0.4428283994 H 1.9607143656 1.4406875387 1.4600529684 H 3.1557489269 1.6498935815 0.1860974277 H 4.2438650825 0.3832451551 -1.3949308074 H 2.8671434185 0.6659050177 -2.4481982887 H 4.3523100561 -0.3833357274 1.0096508289 H 3.1095804243 -0.6177073705 2.2278867592 H -2.1817405714 -2.1560515357 0.0602177931 H -2.2263532437 2.1281724212 0.0824741280 H 4.7104228652 -0.5464277281 -3.6422102884 H 4.6099321597 -1.8631570159 -2.4805366568 H 3.2605240160 -1.5422597116 -3.5674160674 H 4.9008281597 1.8668716889 2.0018346089 H 3.6962701544 1.5912113916 3.2585009817 H 5.1199526880 0.5607942357 3.1594254178 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/3_herbicides/trifluralin/gaussian/water/CONF6/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction trifluralin CONF6 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/3_herbicides/trifluralin/gaussian/water/CONF6/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 trifluralin CONF6 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/3_herbicides/trifluralin/gaussian/water/CONF6/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point trifluralin CONF6 water 0 1