%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Imiprothrin_RS CONF4 water 0 1 O 0.8804848916 1.7138878611 -0.9897949224 O 1.2022933889 1.0055512641 1.1045218743 O -1.4731526772 2.1145189539 2.0551118795 O -1.8269445447 0.9205970562 -2.3327439634 N -1.3605844262 1.7203967232 -0.2135695959 N -3.1348048261 0.4313843910 -0.4963455965 C 3.8954280087 -0.1580866016 0.1166944861 C 2.8947681174 -1.1941240981 -0.2460441540 C 2.6572298875 0.2681799144 -0.6551353225 C 5.1680099816 -0.1198493941 -0.6976154945 C 4.1183494387 0.2457822319 1.5531493886 C 2.0167216096 -1.8608833928 0.7457116378 C 1.5435091878 1.0074302235 -0.0537110470 C 0.8216162830 -2.3754319797 0.4437633634 C -0.0438790717 -3.0152568051 1.4840975664 C 0.2369884393 -2.2927596112 -0.9341339704 C -0.2168030220 2.5065235877 -0.5750487727 C -1.8718939061 1.5763986268 1.0514648640 C -2.0962464608 0.9885206160 -1.1524068539 C -3.0369170282 0.6339773916 0.9272797971 C -3.9977208935 -0.5707749695 -1.0734419166 C -3.6031733437 -1.9310890246 -0.7153645182 C -3.2735739892 -3.0405031210 -0.3933899669 H 3.1535124072 -1.8061795831 -1.1064267991 H 2.8139481345 0.4832754685 -1.7051649401 H 5.6044334854 0.8805139633 -0.6918533107 H 5.9066916954 -0.8077568871 -0.2818307489 H 4.9971091102 -0.4046340586 -1.7365154800 H 4.9059084319 -0.3784269917 1.9796530542 H 4.4569641396 1.2814529401 1.6112552623 H 3.2447413058 0.1456275294 2.1898809048 H 2.3719981765 -1.9272679540 1.7694182190 H -0.2912391496 -4.0453648767 1.2157828863 H 0.4302294121 -3.0233613227 2.4654411030 H -0.9956317470 -2.4830626566 1.5740059538 H 0.9924501583 -2.1737554438 -1.7099187304 H -0.3477963370 -3.1840789666 -1.1684914369 H -0.4454994994 -1.4414461859 -1.0115477101 H 0.0411752063 3.1496461278 0.2650265878 H -0.4562793402 3.1318741965 -1.4309273887 H -2.8171337811 -0.2941179925 1.4652544750 H -3.9432939620 1.0716209601 1.3486956184 H -4.0001149211 -0.4525455845 -2.1568656386 H -5.0210852139 -0.3896796450 -0.7402890062 H -2.9739942475 -4.0308035598 -0.1291097282 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Imiprothrin_RS CONF4 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=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 Imiprothrin_RS CONF4 water 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Imiprothrin_RS CONF4 water 0 1