%chk=/home/apulgar/almacen/pesticidas/unknown_herbicides/oxaziclomefone/gaussian/water/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization oxaziclomefone CONF1 water 0 1 Cl 2.1502676663 -0.9192251928 3.1955298721 Cl 4.7790686395 -1.6273939543 -1.4315719188 O -1.9539652902 2.4933311970 1.0054289932 O -0.4753489248 -0.3332071992 -1.3810572024 N -0.3862041893 1.7954501128 -0.5871905656 C 1.0272720574 1.9945002853 -0.9612666604 C 1.8408556052 0.8456518697 -0.3693700555 C 1.5810489376 3.2772534791 -0.3302216386 C 1.1568477504 2.1251096425 -2.4791366216 C -1.2544161558 2.8583939072 -0.1696247161 C -0.9974554384 0.5925472915 -0.7686234713 C -2.2946920156 0.4470987377 -0.0855260384 C -2.6382095478 1.3440155976 0.8678092223 C 2.8163127714 0.1850924072 -1.1027040836 C 1.6441680972 0.5025869495 0.9665572888 C -3.0944313880 -0.7722272400 -0.3239595362 C 2.4114613647 -0.4953040712 1.5370211727 C 3.5722153874 -0.8078805057 -0.4984971056 C -3.7266666593 1.2025628592 1.8667310443 C 3.3897908416 -1.1708588357 0.8234582061 C -2.5787350750 -2.0452264890 -0.0732037668 C -4.4051345193 -0.6628344582 -0.7869145934 C -3.3549723635 -3.1754689325 -0.2823603702 C -5.1850947983 -1.7933301629 -0.9907095934 C -4.6603013484 -3.0542544893 -0.7431183282 H 1.4199906692 3.3155962955 0.7477008497 H 2.6556799220 3.3112157784 -0.5065693086 H 1.1545309849 4.1732309121 -0.7830712329 H 2.1751770395 2.3910300282 -2.7661818163 H 0.5048851785 2.9296923260 -2.8214233323 H 0.8790316627 1.2154906275 -3.0089837355 H -0.6999370817 3.7593700932 0.0611492751 H -1.9950900886 3.0865534985 -0.9446928187 H 2.9909852788 0.4257754332 -2.1415900887 H 0.8882138995 1.0053188081 1.5566432495 H -4.0894852735 0.1813329672 1.9347075754 H -4.5676526029 1.8498256348 1.6097014720 H -3.3712236810 1.5127842104 2.8507201157 H 3.9833172708 -1.9503623423 1.2805094496 H -1.5728792888 -2.1561800432 0.3095342405 H -4.8176294432 0.3184794603 -0.9886450372 H -2.9406086369 -4.1548100248 -0.0778134174 H -6.2023020993 -1.6871764699 -1.3454240515 H -5.2647762943 -3.9374725748 -0.9039761342 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_herbicides/oxaziclomefone/gaussian/water/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction oxaziclomefone CONF1 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_herbicides/oxaziclomefone/gaussian/water/CONF1/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 oxaziclomefone CONF1 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_herbicides/oxaziclomefone/gaussian/water/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point oxaziclomefone CONF1 water 0 1