%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Phosalone CONF152 gas 0 1 Cl 4.7594935492 0.2833864725 2.2967736207 S -2.0931233357 0.6440122651 -1.1045763401 S -1.1537777473 -2.6080048009 -1.3849750990 P -1.8761438923 -1.2576147917 -0.2283399181 O 1.5777577014 3.1180792694 -0.5648520235 O -3.3694043002 -1.4399180715 0.3184774813 O -1.0410398512 -1.0870530930 1.1129642739 O -0.1230866100 3.5992805826 -1.9756008556 N 0.4970834509 1.4248802513 -1.4857757284 C 1.4426106204 0.8793543044 -0.6311205083 C -0.5825583694 0.7610554109 -2.1347664874 C 2.1067931964 1.9653477977 -0.0794066439 C 0.5606875605 2.8011222424 -1.4160225266 C 1.8008422380 -0.4099128526 -0.3019979714 C 3.1343513390 1.8353126001 0.8207000703 C 2.8391500280 -0.5703010090 0.6111636629 C 3.4847472331 0.5294696440 1.1577340372 C -4.4226290729 -1.8810405433 -0.5557826151 C -1.3683933481 -0.1409858494 2.1426052229 C -4.7050543487 -3.3494396874 -0.3497997584 C -0.1195810534 0.1569629780 2.9352142271 H -0.8723511308 1.3327592664 -3.0135166238 H -0.2908743002 -0.2414944217 -2.4487918810 H 1.2950818145 -1.2740175211 -0.7109467173 H 3.6408754118 2.6915003420 1.2424969830 H 3.1407026784 -1.5662712100 0.9016481991 H -5.2901913001 -1.2694543775 -0.3088400617 H -4.1630168331 -1.6790425596 -1.5984911639 H -1.7642108551 0.7766211367 1.6990149455 H -2.1456000069 -0.5724046070 2.7755774926 H -3.8419257916 -3.9555492559 -0.6199856639 H -4.9709182209 -3.5609030707 0.6851298952 H -5.5413684686 -3.6515773193 -0.9807407468 H -0.3661494389 0.8305355623 3.7560423762 H 0.3091481992 -0.7491442949 3.3610159659 H 0.6395406489 0.6388508844 2.3203723552 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Phosalone CONF152 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 Phosalone CONF152 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Phosalone CONF152 gas 0 1