%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Ethion CONF75 gas 0 1 S -0.7032818961 -1.2308592713 0.8608843578 S 0.3421816607 1.6349321026 0.5410791706 S -3.7336896766 0.2150676435 1.4182308129 S 3.1361213717 -0.1385439952 1.3599040613 P -2.6131284519 -0.6892175320 0.1578083102 P 2.1963905979 0.8456441531 0.0012185626 O -2.3829945781 0.1508325706 -1.1729266034 O -3.0921025176 -2.1165670268 -0.3976309984 O 1.8353895771 0.0533846376 -1.3412816762 O 2.9409953386 2.1370808543 -0.5875397772 C -0.2315166947 0.3242354614 1.6559859854 C -1.5957803188 -0.3151784614 -2.2781470505 C -3.9499150083 -2.9898583365 0.3479880066 C 2.8265607239 -0.7313064910 -2.0197706017 C 3.8584137720 2.9179341093 0.1888591751 C -1.1900640903 0.8786729671 -3.1059845737 C -3.2208385131 -3.7174464915 1.4552393184 C 2.1337319915 -1.8621235524 -2.7390219437 C 3.1738175594 3.7659646993 1.2365877941 H -1.0871730173 0.7333323701 2.1959615999 H 0.5586458575 0.0831875805 2.3667688626 H -0.7095068742 -0.8393198681 -1.9134282312 H -2.1928016099 -1.0185311760 -2.8627287363 H -4.7892716672 -2.4176819488 0.7490541786 H -4.3401364663 -3.6922464011 -0.3879719918 H 3.3609855170 -0.0850088592 -2.7196117402 H 3.5494715721 -1.1238096094 -1.2998811556 H 4.5951487174 2.2571554593 0.6515839318 H 4.3735197145 3.5432770036 -0.5395864287 H -0.6192915044 0.5422174792 -3.9720046844 H -2.0584071142 1.4279644650 -3.4681188098 H -0.5622299213 1.5555490059 -2.5295420997 H -3.8963840505 -4.4369044240 1.9187887968 H -2.3570045251 -4.2631339960 1.0762828417 H -2.8817702369 -3.0321947640 2.2313243923 H 2.8716092232 -2.4684334309 -3.2644132580 H 1.6052474559 -2.5051631566 -2.0360681816 H 1.4212048012 -1.4919817052 -3.4764338230 H 2.4018329411 4.3993107781 0.8009896380 H 2.7186909811 3.1552727926 2.0154946730 H 3.9120385036 4.4123993048 1.7120271759 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Ethion CONF75 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 Ethion CONF75 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Ethion CONF75 gas 0 1