%chk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/water/CONF469/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Tebupirimfos CONF469 water 0 1 S 1.3009187379 0.9219540270 2.0594823478 P 1.8783334999 0.0974611798 0.4305799876 O 3.1860912609 0.6300527418 -0.2871615468 O 0.8128597667 0.2346190657 -0.8050651030 O 2.1530504349 -1.4548151943 0.5854703347 N -2.6323552843 0.9702351595 -0.0303722676 N -2.4333340272 -1.3221636798 -0.5088742628 C -4.6273934290 -0.4068372834 0.0972497901 C -5.1001563314 -1.8400019174 -0.1272678055 C -5.4004830917 0.5263979418 -0.8409797848 C -4.9067720224 -0.0127842664 1.5524563979 C -3.1418582362 -0.2546508896 -0.1666923974 C 3.3564429095 2.0458367887 -0.6068646260 C -0.5277334316 0.0633608029 -0.5794290162 C -1.3377546217 1.1306927739 -0.2324415882 C -1.1308193603 -1.1679314970 -0.7124869544 C 4.3830105381 2.6231769983 0.3381579035 C 3.7566840072 2.1293162423 -2.0602680676 C 2.6613292305 -2.2807522230 -0.4950706747 C 2.2357598112 -3.7012833797 -0.2392450231 H -4.9428494943 -2.1685421909 -1.1547168692 H -6.1702954434 -1.9014570876 0.0775540399 H -4.5991670661 -2.5478614443 0.5327649109 H -5.1422921559 1.5720141369 -0.6771891066 H -5.2047763587 0.2894931717 -1.8884994865 H -6.4732083880 0.4181753568 -0.6716022931 H -5.9704292714 -0.1248019076 1.7700400575 H -4.6346782503 1.0230249844 1.7527134278 H -4.3574908256 -0.6479973144 2.2499438393 H 2.4021780541 2.5610651675 -0.4645403432 H -0.9276961654 2.1286760068 -0.1244998678 H -0.5578376304 -2.0459211394 -0.9922951633 H 5.3479847842 2.1267263462 0.2273257422 H 4.5216058169 3.6825881397 0.1222056357 H 4.0597830356 2.5338784181 1.3752282745 H 4.7024562072 1.6175853593 -2.2427404281 H 3.8809039166 3.1745686522 -2.3426260599 H 2.9939004028 1.6977767571 -2.7081282904 H 2.2757796967 -1.9317967486 -1.4543238552 H 3.7475583574 -2.1897279574 -0.5085445070 H 1.1508240157 -3.8043355924 -0.2586527092 H 2.6468035947 -4.3392002514 -1.0216688805 H 2.6070201299 -4.0673935343 0.7176046600 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/water/CONF469/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Tebupirimfos CONF469 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/water/CONF469/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 Tebupirimfos CONF469 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/water/CONF469/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Tebupirimfos CONF469 water 0 1