%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization iprobenfos CONF235 gas 0 1 S 0.3470281715 1.2189361982 -1.2188103031 P 1.1676626789 -0.1073515275 0.1859771481 O 2.7200677716 -0.1544960094 -0.1647265246 O 0.7993259249 -1.5665488719 -0.3281609141 O 0.7967301294 0.2689037880 1.5648890222 C 3.6800610234 0.6494274141 0.5513388958 C -0.5634050888 -2.0414035342 -0.3245424963 C -0.9094754098 2.0688241048 -0.1847101598 C 4.9923959962 -0.1061959605 0.5083803327 C 3.7846235049 2.0291231864 -0.0701874140 C -0.6993974251 -2.9822477291 -1.5022981914 C -0.8708854896 -2.7054101948 1.0027470679 C -2.1311040601 1.2421745601 0.0729498693 C -3.0147910744 0.9503992486 -0.9637675209 C -2.3875777539 0.7291965604 1.3399155266 C -4.1277118148 0.1574217185 -0.7412805892 C -3.5051952003 -0.0632299459 1.5644659842 C -4.3746612583 -0.3554055514 0.5259859537 H 3.3528775799 0.7434455285 1.5908683957 H -1.2450786342 -1.1971458627 -0.4713830158 H -1.1560163259 2.9612649532 -0.7622663185 H -0.4386831702 2.3914565957 0.7412880392 H 4.8933985754 -1.0967745609 0.9507615384 H 5.3473550299 -0.2211650283 -0.5164105226 H 5.7519132857 0.4387313763 1.0691479531 H 4.0695138167 1.9649187166 -1.1208323697 H 4.5439483213 2.6121606175 0.4517160593 H 2.8444502223 2.5757915232 -0.0077024130 H -0.0254734624 -3.8344399153 -1.4054285298 H -1.7196709801 -3.3617813791 -1.5558582539 H -0.4793058733 -2.4727822855 -2.4397968373 H -1.8987137005 -3.0687783986 1.0027858853 H -0.7648086436 -2.0036256639 1.8284097385 H -0.2079210685 -3.5536530218 1.1789370485 H -2.8192108719 1.3355337651 -1.9576371507 H -1.6975124054 0.9317428507 2.1476563596 H -4.8046965728 -0.0616560187 -1.5565448479 H -3.6903082931 -0.4584733007 2.5547644326 H -5.2437552781 -0.9758631923 0.7012160268 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction iprobenfos CONF235 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) Electronic spectrum iprobenfos CONF235 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point iprobenfos CONF235 gas 0 1