%chk=/home/apulgar/almacen/pesticidas/G1/Terbufos/gaussian/water/CONF563/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Terbufos CONF563 water 0 1 S 1.9067187199 0.3654514171 1.1955249588 S 0.0843615907 -1.0760638176 -0.8309963857 S -2.6055372578 0.2191574343 -2.1450668733 P -1.6247146039 0.0524681187 -0.4975509290 O -2.3678627710 -0.5890674894 0.7637797806 O -1.1805427447 1.4018060031 0.2349567532 C 3.5703871096 -0.0849018152 0.5397363995 C 3.4995020648 -0.5004051761 -0.9218989815 C 4.3807199543 1.1997519489 0.6797988000 C 4.1872314992 -1.1898761586 1.3859710565 C 0.8899291653 -1.0637282650 0.8182308359 C -3.0551218029 -1.8531081621 0.6395331735 C -0.4993912212 2.4292417893 -0.5139115848 C -4.5462927225 -1.6390609029 0.6481584102 C -0.1621651679 3.5536253314 0.4279645772 H 4.5122214735 -0.6546313273 -1.3021748984 H 2.9632870754 -1.4403629122 -1.0591117521 H 3.0200877100 0.2610660479 -1.5368488580 H 4.4264758179 1.5418813730 1.7151925509 H 3.9683974519 2.0055614898 0.0710163804 H 5.4049289446 1.0203588628 0.3473635193 H 4.2798088899 -0.8886614905 2.4295418403 H 3.6034416513 -2.1108960999 1.3490779572 H 5.1867768651 -1.4266230448 1.0132942461 H 1.4749295101 -1.9826607381 0.8629133237 H 0.1235114527 -1.1504874738 1.5874287364 H -2.7406190883 -2.3769712011 -0.2662019847 H -2.7354081970 -2.4531056039 1.4904931974 H 0.4076534693 2.0133384795 -0.9582435518 H -1.1507066184 2.7737865171 -1.3195720804 H -4.8708350095 -1.0622986086 -0.2174583162 H -5.0469371571 -2.6070703318 0.6161816746 H -4.8699994494 -1.1259669233 1.5537068734 H 0.5145154324 3.2248191889 1.2161777026 H 0.3346127528 4.3458947290 -0.1318255269 H -1.0563589844 3.9780577356 0.8845038210 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Terbufos/gaussian/water/CONF563/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Terbufos CONF563 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Terbufos/gaussian/water/CONF563/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 Terbufos CONF563 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Terbufos/gaussian/water/CONF563/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Terbufos CONF563 water 0 1