%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization coumoxystrobin CONF32 gas 0 1 O 1.6568796050 -0.4514289906 -0.4041508432 O -1.7897173434 2.3947173196 1.1488255260 O 3.1459199477 -1.8677211454 -1.1456710023 O -5.2310955749 -0.5970951566 1.0698627189 O -1.3672123036 -2.1791855124 -0.9811124473 O -4.3826446790 -2.5402175098 1.7761224427 C 5.3753542110 -0.1953079946 -0.7355966295 C 3.9729672214 0.2275944455 -0.4081408977 C 6.0422669133 -0.9524238347 0.4132299245 C 3.6311048719 1.4122480776 0.1572239695 C 2.2397184490 1.7006730458 0.4278357446 C 7.4495400790 -1.4216063134 0.0693202970 C 1.2896485522 0.7329573548 0.1209818513 C 2.9458726410 -0.7743404529 -0.6881753128 C 4.6382203891 2.4558256862 0.5279263675 C 1.7635750057 2.9003149669 0.9759340912 C -0.0688040131 0.9161223697 0.3322169382 C -0.5060459079 2.1110164376 0.8807088183 C 0.4248093900 3.1094425408 1.2005606563 C 8.1059169838 -2.1898226501 1.2068654815 C -2.7660259970 1.3824453294 0.9827156564 C -3.1050444251 1.1104512786 -0.4610975834 C -3.3803466492 -0.1852568614 -0.9079465258 C -3.1569986495 2.1697612459 -1.3604934528 C -3.6880694403 -0.3856556810 -2.2513571009 C -3.3221736121 -1.3587443887 -0.0041113426 C -3.4657195076 1.9568441624 -2.6930384291 C -3.7304671222 0.6723870651 -3.1420986250 C -4.3397073956 -1.5903894237 1.0347081959 C -2.3508806896 -2.2834522303 -0.1035841587 C -6.2618878982 -0.7004529930 2.0385198679 C -0.3542183527 -3.1733770435 -0.9317389251 H 5.3563479583 -0.8357848661 -1.6187824509 H 5.9820474449 0.6703253567 -1.0083666325 H 5.4254861295 -1.8153174033 0.6783658099 H 6.0732883777 -0.3136354315 1.3023127047 H 7.4106426514 -2.0507809668 -0.8245572869 H 8.0680260618 -0.5583281833 -0.1961808876 H 4.4590321112 3.3827440820 -0.0201469242 H 4.5679359130 2.6924682441 1.5910239475 H 5.6597790259 2.1465315073 0.3314185913 H 2.4597719493 3.6864000997 1.2347725382 H -0.7418358768 0.1275608836 0.0322447097 H 0.0756394323 4.0387018505 1.6297897454 H 8.1869877279 -1.5753696584 2.1050671639 H 9.1109136180 -2.5184999529 0.9415778095 H 7.5278683865 -3.0771784053 1.4689573245 H -2.4474348837 0.4661181792 1.4901582717 H -3.6457292421 1.7538439981 1.5103289148 H -2.9406803329 3.1736773144 -1.0179303314 H -3.8971604035 -1.3899592349 -2.5965203550 H -3.4969500046 2.7928976169 -3.3792210915 H -3.9676710420 0.4944962231 -4.1826308981 H -2.3474114596 -3.1444029964 0.5628213859 H -6.8750001113 -1.5879055335 1.8807239964 H -5.8627666774 -0.7311672558 3.0526033154 H -6.8757773247 0.1876667191 1.9166739536 H -0.7458377246 -4.1448042116 -1.2411273382 H 0.4328343017 -2.8643342361 -1.6118402091 H 0.0749250775 -3.2569960016 0.0682289120 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction coumoxystrobin CONF32 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 coumoxystrobin CONF32 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point coumoxystrobin CONF32 gas 0 1