%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization iprobenfos CONF43 gas 0 1 S 0.3971095425 1.6652433607 -1.0585625245 P 0.9909891651 0.0472417429 0.1099656371 O 2.4669898912 -0.2116628454 -0.4457169480 O 0.2071330964 -1.1971509871 -0.4936451955 O 0.8482832321 0.2789314436 1.5626284998 C 3.5568433133 0.6227242613 -0.0031456914 C -0.2672820861 -2.2708914377 0.3473401591 C -0.9950758949 2.2491559961 -0.0185239421 C 4.2378329168 -0.0328892695 1.1817384843 C 4.4776374560 0.8110221345 -1.1895588042 C -1.3379606382 -2.9895737925 -0.4444786020 C 0.8840845778 -3.1743794751 0.7466417072 C -2.1325404943 1.2770806346 0.0678797410 C -2.9111188596 0.9920010580 -1.0506157658 C -2.4306025582 0.6506989614 1.2725904719 C -3.9744181702 0.1098994243 -0.9635139187 C -3.4967601257 -0.2344779098 1.3614628027 C -4.2718662385 -0.5061911634 0.2456158553 H 3.1660590963 1.6010121018 0.3005766302 H -0.7172886078 -1.8371866064 1.2443793026 H -1.3098356727 3.1791403797 -0.4946339620 H -0.6071986699 2.4960279909 0.9679200727 H 4.6242490201 -1.0171024318 0.9126225531 H 5.0766531212 0.5777413741 1.5175479447 H 3.5474409408 -0.1439114375 2.0168673824 H 4.8745497327 -0.1452063141 -1.5333720412 H 5.3196178067 1.4457162262 -0.9128893034 H 3.9569696450 1.2857737799 -2.0209013382 H -0.9287832970 -3.4331763676 -1.3531278492 H -1.7673739236 -3.7899636121 0.1587055414 H -2.1410436589 -2.3064983155 -0.7189089623 H 0.5127117444 -4.0085185473 1.3430347687 H 1.6196139560 -2.6431272021 1.3511049221 H 1.3863600998 -3.5819115077 -0.1314141324 H -2.6753894132 1.4594688809 -1.9991425573 H -1.8189123840 0.8493579826 2.1429628376 H -4.5739756745 -0.0987457257 -1.8398548573 H -3.7196817175 -0.7113502212 2.3070587022 H -5.1042481045 -1.1943437877 0.3147449002 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction iprobenfos CONF43 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 CONF43 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 CONF43 gas 0 1