%chk=/home/apulgar/almacen/pesticidas/G1_new2/Parathion/gaussian/gas/CONF35/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Parathion CONF35 gas 0 1 S -2.1283203128 0.3904251182 -1.8183734166 P -2.0147580594 0.1821155747 0.0815708735 O -0.7463791018 0.9066481992 0.8060698322 O -3.1975592822 0.7827793246 0.9511568606 O -1.8951272012 -1.2949081906 0.6574724989 O 5.0471189147 -0.1790236657 -1.1933743082 O 5.0268647999 -1.3846007533 0.5749055757 N 4.5101877600 -0.6303002635 -0.2123768360 C 0.5331031511 0.5142207814 0.5287813788 C -3.9320836555 1.9505491646 0.5584190160 C -2.0017621350 -2.4757833258 -0.1534051427 C 1.1839943655 -0.3223848858 1.4248551431 C 1.1740267541 0.9729463928 -0.6138376484 C 3.1285253231 -0.2337000750 0.0433404218 C 2.4928339951 -0.6966593571 1.1848595384 C 2.4832761059 0.5987942133 -0.8572887373 C -3.1424762475 3.2246698927 0.7501417524 C -0.6489174332 -2.9130572321 -0.6609150478 H -4.2541122354 1.8437913461 -0.4800235450 H -4.8190864251 1.9428486878 1.1902499544 H -2.4441021260 -3.2298706402 0.4969900161 H -2.6878497432 -2.2998711602 -0.9842086872 H 0.6677373263 -0.6689427571 2.3091443603 H 0.6515025178 1.6195339617 -1.3043462671 H 3.0097149250 -1.3435724105 1.8779765474 H 2.9917682848 0.9525207267 -1.7418450977 H -2.2993675234 3.2855825809 0.0623836306 H -3.7882754747 4.0809443941 0.5543927612 H -2.7661010909 3.3117388124 1.7684779647 H 0.0508277643 -3.0812411480 0.1571383991 H -0.7516490565 -3.8477508389 -1.2131693237 H -0.2227859089 -2.1720722208 -1.3370396474 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1_new2/Parathion/gaussian/gas/CONF35/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Parathion CONF35 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1_new2/Parathion/gaussian/gas/CONF35/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Parathion CONF35 gas 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1_new2/Parathion/gaussian/gas/CONF35/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Parathion CONF35 gas 0 1