%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Cadusafos CONF729 gas 0 1 S 1.7424918668 0.6371770413 -0.7814583902 S -0.6078475376 -1.6384662954 -0.4302280204 P -0.1215118322 0.3113267157 0.0847872205 O -1.0619688075 1.1805178043 -0.8859691793 O -0.2131815375 0.6091623417 1.5327583153 C 2.8558826587 0.0859811396 0.5856890173 C -1.8996460428 -2.0059299705 0.8360850067 C 4.1388030003 0.9091866402 0.5168416993 C -3.1839370542 -1.2110303397 0.6227541296 C 3.1210463586 -1.4053206002 0.4836923907 C -2.1052844039 -3.5138209384 0.8025878236 C 3.9550551431 2.3929533414 0.7921231369 C -3.8470367716 -1.3871129165 -0.7334740852 C -1.1595478577 2.5994645120 -0.6938791731 C -2.3097345432 2.9512412101 0.2216185234 H 2.3345755656 0.3133497132 1.5176985976 H -1.4682240312 -1.7253415062 1.7976062979 H 4.6223477226 0.7582789068 -0.4530618334 H 4.8227630263 0.4858885602 1.2590656967 H -3.8772134891 -1.5121167373 1.4152857292 H -2.9813285722 -0.1533384257 0.7992887457 H 3.7662395031 -1.7254081180 1.3045965396 H 3.6185134707 -1.6540465305 -0.4541221675 H 2.1986447309 -1.9814307059 0.5369175269 H -2.4403748030 -3.8652894646 -0.1731559013 H -2.8640535172 -3.7940703425 1.5350456545 H -1.1878043809 -4.0450975760 1.0523555009 H 3.4762918194 2.5566108603 1.7585989243 H 3.3369954493 2.8715250948 0.0335451100 H 4.9171893577 2.9046026208 0.8079585405 H -4.1243688198 -2.4240944710 -0.9253155535 H -3.1916071214 -1.0595881501 -1.5395664307 H -4.7599475439 -0.7947059090 -0.7883366183 H -1.3091696788 3.0179036275 -1.6892030003 H -0.2180395802 3.0028262495 -0.3098274507 H -3.2468434176 2.5357446930 -0.1489500151 H -2.1363097540 2.5803820902 1.2305641503 H -2.4218569308 4.0348551762 0.2722569360 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Cadusafos CONF729 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 Cadusafos CONF729 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Cadusafos CONF729 gas 0 1