%chk=/home/apulgar/almacen/pesticidas/3_herbicides/trifluralin/gaussian/water/CONF7/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization trifluralin CONF7 water 0 1 F -4.1879466293 -1.0295908433 1.0000638636 F -4.3568854124 0.2186308510 -0.7376562796 F -4.0715958223 1.1085999868 1.1973181784 O -0.1474339592 -3.4283467558 -0.7135393908 O 0.3104422287 3.2766126745 0.6144384854 O 1.3106188394 -2.7372537826 0.6873793100 O 1.2334957449 2.5349170607 -1.1654224424 N 1.9492939058 -0.1317169449 -0.2755363185 N 0.3701179468 -2.5623076738 -0.0490289079 N 0.5362490165 2.4032480371 -0.1892912832 C 2.5783207880 -0.9451485309 -1.3055754799 C 2.8420022349 0.6029166326 0.6161149142 C 0.5965012785 -0.0823190402 -0.1396404541 C 3.3581521553 -0.1064538425 -2.3130124205 C 2.3726398395 0.6384067525 2.0653397369 C -0.2199584870 -1.2314249271 -0.0980984652 C -0.1216057019 1.1202352499 0.0052116331 C -2.2289161761 0.0197400831 0.2396965377 C -1.5932698355 -1.1932388330 0.0347331506 C -1.4803361721 1.1837198420 0.2408431606 C 3.9755488312 -0.9880733976 -3.3878739491 C 3.4168493132 1.2948888107 2.9542577811 C -3.7119415509 0.0782471877 0.4274386907 H 1.8116647148 -1.4923140190 -1.8568382616 H 3.2458464534 -1.6829411410 -0.8489473459 H 3.0668298385 1.6131764120 0.2593322344 H 3.7925350835 0.0655874528 0.5852855276 H 4.1451439854 0.4572767295 -1.8058136897 H 2.6860098103 0.6241983173 -2.7681953141 H 2.1796556923 -0.3833816738 2.4005368146 H 1.4324589255 1.1830809598 2.1735677991 H -2.1508401753 -2.1203346066 0.0485663097 H -1.9529772881 2.1493410465 0.3635365593 H 4.6551220907 -1.7257442759 -2.9571485353 H 3.2098687789 -1.5301545409 -3.9458546871 H 4.5457630592 -0.3944707874 -4.1021866579 H 4.3608421677 0.7484234705 2.9330201022 H 3.6189047924 2.3196829771 2.6387538288 H 3.0786586469 1.3309664538 3.9895170680 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/3_herbicides/trifluralin/gaussian/water/CONF7/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 CONF7 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/3_herbicides/trifluralin/gaussian/water/CONF7/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 CONF7 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/3_herbicides/trifluralin/gaussian/water/CONF7/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point trifluralin CONF7 water 0 1