%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Phenothrin_RS CONF76 gas 0 1 O -1.7376535437 1.0570371652 -0.4690829131 O -3.8454031627 1.6518443206 -0.0608319320 O 3.2852863808 0.8745007162 0.0622601713 C -2.6682146491 -1.7985369898 -0.8616086254 C -2.5068472195 -1.6777052020 0.6165874323 C -3.3456917563 -0.6508400217 -0.1411868849 C -3.6169567785 -2.8606106635 -1.3711232187 C -1.4891024274 -1.5910389762 -1.7810520252 C -1.2049255731 -1.3645377396 1.2608008683 C -3.0192723948 0.7908420990 -0.2187157282 C -1.0536374516 -0.6424383565 2.3721242992 C 0.2958700115 -0.4404600587 2.9910179907 C -2.1884996398 0.0257048299 3.0866005997 C -1.3533802181 2.4244520202 -0.4928479084 C 0.1151607293 2.5033080158 -0.7933273799 C 1.0078339204 1.6014840811 -0.2258863586 C 0.5948663700 3.5216365133 -1.6080644239 C 2.3651739189 1.7151590315 -0.4939305737 C 1.9549361180 3.6404262764 -1.8484895679 C 2.8475890030 2.7331065317 -1.3036867101 C 3.0457459281 -0.4650459816 0.1242905314 C 3.5794456885 -1.1491026633 1.2086673896 C 2.3470446798 -1.1505955537 -0.8620789912 C 3.4054963008 -2.5203407993 1.3079682650 C 2.1724293424 -2.5209468711 -0.7437208475 C 2.6937922854 -3.2128323336 0.3392463097 H -3.1256588216 -2.3563299541 1.1998888604 H -4.4157612407 -0.7697679455 -0.0148149474 H -4.4573015704 -3.0173946515 -0.6939150143 H -3.1014917405 -3.8162593898 -1.4831239774 H -4.0239534481 -2.5853231954 -2.3454969714 H -1.0112787481 -2.5547285208 -1.9708754765 H -0.7324848789 -0.9212061426 -1.3843078745 H -1.8157021926 -1.1934780090 -2.7433120758 H -0.3207818128 -1.8111670975 0.8133520371 H 0.3109327598 -0.7988864457 4.0234678349 H 0.5566571930 0.6209830509 3.0288643524 H 1.0811608737 -0.9604183756 2.4440222784 H -2.2424617623 -0.3112377471 4.1248712407 H -3.1568017064 -0.1576673152 2.6264252007 H -2.0375236366 1.1079123037 3.1229427123 H -1.5709399948 2.8873826972 0.4749303050 H -1.9272252820 2.9735888213 -1.2435002329 H 0.6430499332 0.8090071634 0.4166431447 H -0.0948805781 4.2239967149 -2.0594605935 H 2.3224111300 4.4360130374 -2.4827559695 H 3.9092192785 2.8067901076 -1.4981769370 H 4.1247080772 -0.6018335070 1.9663100563 H 1.9412296472 -0.6252153313 -1.7165976568 H 3.8205502538 -3.0476567360 2.1567019162 H 1.6250725827 -3.0492611079 -1.5132269324 H 2.5521363572 -4.2814544356 0.4239565160 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Phenothrin_RS CONF76 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 Phenothrin_RS CONF76 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Phenothrin_RS CONF76 gas 0 1