%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Tetramethrin_RS CONF20 octanol 0 1 O 1.2029047770 -1.8049326847 -1.1189897388 O 1.2756161991 -1.2069056163 1.0322942782 O -1.2233206382 -0.6457822413 -2.6936006478 O -1.5745971708 -2.1893117035 1.5704140342 N -1.1049914641 -1.6778667268 -0.6372710438 C 4.0654021292 -0.0175117064 0.4351369787 C 3.1185267190 1.0426527908 -0.0071879538 C 2.9327629773 -0.3993738098 -0.4992130010 C 5.4321074959 -0.0333898188 -0.2088386926 C 4.0973643863 -0.4796015932 1.8713238607 C 2.1517646741 1.6932582000 0.9108161775 C 1.7484543006 -1.1568867087 -0.0753380600 C 1.0017704034 2.2555976919 0.5299232909 C 0.0060557930 -2.5369719460 -0.8997668050 C 0.1038216883 2.9389404726 1.5141295961 C 0.5114022415 2.2533149247 -0.8840845056 C -2.6068520894 0.0594946288 -0.8344077778 C -2.6908144293 -0.3856437958 0.4196803904 C -3.3820794891 1.1969317053 -1.3873567715 C -3.5812917724 0.1672811556 1.4678611313 C -3.9724071321 2.0090111116 -0.2335452315 C -4.6028839658 1.1116911888 0.8310763051 C -1.5894064863 -0.7500184753 -1.5505164303 C -1.7441615325 -1.5160537845 0.5886246491 H 3.4882141291 1.6850021075 -0.8022155746 H 3.2182564748 -0.5676608351 -1.5308567682 H 5.4005858201 0.3094524385 -1.2440850772 H 6.1189366521 0.6184377419 0.3346786268 H 5.8549774316 -1.0397175189 -0.2039671181 H 3.1458500945 -0.4010785588 2.3886728892 H 4.4230416728 -1.5198680327 1.9330988958 H 4.8219519356 0.1210677036 2.4258176700 H 2.4246004891 1.7431991614 1.9606440008 H 0.1057208462 -3.2454037553 -0.0773211956 H -0.1553195160 -3.0917235060 -1.8216785063 H 0.5349678685 2.9733249044 2.5145808680 H -0.1154379687 3.9643073843 1.2051629467 H -0.8597379077 2.4252923167 1.5819943257 H 1.0746128652 1.5904768214 -1.5388102322 H -0.5387990402 1.9565619857 -0.9256191922 H 0.5565852670 3.2595221319 -1.3111729621 H -2.7469474467 1.8203008635 -2.0216133158 H -4.1755532866 0.8153870469 -2.0387685021 H -4.0799407007 -0.6396747121 2.0103669255 H -2.9717450106 0.6938694526 2.2101350496 H -3.1805143997 2.6115820342 0.2220942065 H -4.7144553045 2.7093289640 -0.6197394659 H -5.4035751151 0.5206351672 0.3763112433 H -5.0690918555 1.7214699628 1.6067092086 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx Wavefunction Tetramethrin_RS CONF20 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Tetramethrin_RS CONF20 octanol 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point Tetramethrin_RS CONF20 octanol 0 1