%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Cypermethrin-zeta CONF40 water 0 1 Cl -2.3841061369 -0.2722204487 2.3225358238 Cl -4.0231713107 1.8807744000 3.3104424954 O 1.6133209548 1.3337754500 0.0676344502 O 2.2203726606 3.4669053778 -0.1637648597 O 1.1102215952 -3.6039084371 -0.9032602184 N 3.6416211689 1.4060758808 -2.6445264142 C -1.0850707660 2.5566346080 -0.9346128399 C -1.1387363090 1.9224730573 0.4281014283 C -0.0797056344 2.9634084692 0.1263454128 C -0.6646725730 1.6856067148 -2.0943238240 C -2.0967592926 3.6056283197 -1.3251017942 C -2.1933608681 2.2570687682 1.3922252207 C 1.3536596843 2.6434121397 0.0015864018 C -2.7789333869 1.4020307353 2.2204788583 C 2.9422882385 0.8922240622 -0.1750968992 C 2.9581454786 -0.5937997668 0.0749287348 C 3.3216793701 1.1953472774 -1.5598446280 C 2.0467473371 -1.3993122150 -0.5983126793 C 3.8353996922 -1.1325825013 1.0021944587 C 1.9886108033 -2.7506336755 -0.2982821734 C 3.7931501121 -2.4970151212 1.2604232146 C 2.8664902205 -3.3062647082 0.6267924742 C -0.0913702111 -3.1320369929 -1.3805322439 C -0.4859786532 -3.5582635218 -2.6389651658 C -0.9110949531 -2.3098803811 -0.6165905576 C -1.7167796192 -3.1550838003 -3.1395134147 C -2.1300156129 -1.9006683277 -1.1368508235 C -2.5389999976 -2.3209627962 -2.3960150758 H -0.7923584669 0.8963284451 0.4558499717 H -0.2381716282 3.9538331842 0.5381885985 H -0.1180692048 2.2697561854 -2.8367141247 H -1.5514634331 1.2795774306 -2.5834725950 H -0.0439846047 0.8408059015 -1.8022579127 H -2.3250250520 4.3038923857 -0.5212814689 H -3.0299457340 3.1355863794 -1.6394253085 H -1.7215303806 4.1909174282 -2.1657790063 H -2.5284917650 3.2862065162 1.4407428052 H 3.6547005885 1.3951204457 0.4851233205 H 1.3826754109 -0.9695020754 -1.3386426285 H 4.5386867783 -0.4963393991 1.5232411729 H 4.4741609144 -2.9301533953 1.9802532153 H 2.8182203816 -4.3648574058 0.8465320159 H 0.1620584161 -4.2025420354 -3.2192270391 H -0.6055748450 -1.9874572803 0.3709229248 H -2.0265643505 -3.4911219130 -4.1201490805 H -2.7692550208 -1.2570312819 -0.5468317353 H -3.4938690766 -2.0026908521 -2.7920036624 --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 Cypermethrin-zeta CONF40 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 Cypermethrin-zeta CONF40 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 Cypermethrin-zeta CONF40 water 0 1