%chk=/home/apulgar/almacen/pesticidas/G2-G4/fenhexamid/gaussian/water/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization fenhexamid CONF1 water 0 1 Cl 1.4135087219 -2.1005050106 0.1767028202 Cl 4.3040629561 -1.1081981658 -0.2220837044 O -1.8810974788 1.8828815200 0.6138433633 O 4.5518882213 1.8823873206 -0.3503826607 N -0.6420512880 -0.0011039288 0.3807482090 C -3.0397528485 -0.2367758571 0.7561939990 C -4.3262139748 0.5812591312 0.5784588341 C -3.0863073622 -1.4146043328 -0.2320844155 C -4.5809493890 1.0241661791 -0.8595851187 C -3.2796697096 -0.9673736990 -1.6756288094 C -4.5610128304 -0.1560360396 -1.8234716577 C -2.9697238157 -0.7697256403 2.1934132804 C -1.8146561700 0.6652146057 0.5570284242 C 0.6479880455 0.5016304127 0.2075720559 C 1.7096368077 -0.4024632743 0.0934509241 C 0.9597624091 1.8600687632 0.1257013759 C 3.0186006614 0.0330429969 -0.0908828430 C 2.2587714097 2.2886103902 -0.0593447927 C 3.3119252081 1.3914657197 -0.1711915771 H -4.3309941077 1.4400799074 1.2521335693 H -5.1539494255 -0.0593735194 0.8992278807 H -3.9351185385 -2.0402261845 0.0623061800 H -2.2127235665 -2.0671441977 -0.1406894141 H -3.8337203697 1.7587722583 -1.1691697130 H -5.5466082656 1.5323832147 -0.9112714966 H -3.3094097820 -1.8433071688 -2.3272998252 H -2.4232013182 -0.3692572382 -2.0047046408 H -5.4196765088 -0.8047031857 -1.6210833369 H -4.6707054970 0.1952327048 -2.8520526459 H -3.8582086315 -1.3662636673 2.4041779251 H -2.0986414229 -1.4073543985 2.3528232164 H -2.9336436324 0.0427646898 2.9208641947 H -0.7129567253 -1.0068707410 0.3972501055 H 0.1847880352 2.6020468694 0.2049178514 H 2.4645151917 3.3491248729 -0.1187936861 H 5.2148833031 1.1823508059 -0.4037597172 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G2-G4/fenhexamid/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 fenhexamid CONF1 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G2-G4/fenhexamid/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 fenhexamid CONF1 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G2-G4/fenhexamid/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 fenhexamid CONF1 water 0 1