%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Tetramethrin_1R CONF171 gas 0 1 O 0.1284471676 0.4003769195 0.4776332303 O 1.6610015740 0.9256350279 2.0109864511 O -2.4628764091 2.4582006927 -0.3533072848 O -2.4834010799 -1.6710406917 1.5612500242 N -2.1440816854 0.4859831393 0.8052111740 C 3.5762111352 0.9711751167 -0.4674723119 C 3.7347931513 -0.3192145863 0.2761545793 C 2.3546399068 0.1278891659 -0.1368179270 C 3.8405518854 2.2688748056 0.2550144239 C 3.9661426240 1.0129037511 -1.9250459092 C 4.3313839673 -1.5285983450 -0.3446727774 C 1.3892259472 0.5315393371 0.9065987584 C 5.6224427513 -1.8565936534 -0.2838127254 C -0.8877179650 0.7618906982 1.4055525095 C 6.1407002468 -3.1133752810 -0.9140290045 C 6.6505935944 -1.0187462927 0.4134115544 C -4.0291904502 0.6205102215 -0.5078361262 C -4.0349760154 -0.5884160589 0.0529635007 C -5.0697208638 1.1400810903 -1.4295696050 C -5.0955136565 -1.6101008105 -0.1326401953 C -5.9530403263 -0.0152985556 -1.9062422982 C -6.3280301356 -0.9563448677 -0.7606385797 C -2.8140968197 1.3508772852 -0.0577600830 C -2.8220315720 -0.7280535585 0.9031445278 H 3.9264518427 -0.1985960783 1.3389499185 H 1.9112958983 -0.3839928425 -0.9844673786 H 3.2482485746 3.0812985267 -0.1707756724 H 4.8925275444 2.5388867138 0.1425390742 H 3.6216035914 2.2158058063 1.3180342212 H 5.0382817104 1.1930838698 -2.0251880955 H 3.4423119227 1.8198109116 -2.4401875796 H 3.7454147440 0.0820681374 -2.4460838247 H 3.6556269113 -2.1949447648 -0.8729591114 H -0.8258248711 1.8243191720 1.6427487770 H -0.7961705437 0.1830038749 2.3245267499 H 5.3518267385 -3.6802397228 -1.4068526219 H 6.6047521191 -3.7642247921 -0.1688184741 H 6.9112047324 -2.8913831360 -1.6565939278 H 7.0984740359 -1.5661287428 1.2466503341 H 6.2460878251 -0.0868694514 0.8037077083 H 7.4683334984 -0.7673065629 -0.2663561136 H -5.6667617687 1.8972394188 -0.9107648433 H -4.6062229339 1.6573781706 -2.2726204843 H -4.7151468436 -2.4156096496 -0.7691888074 H -5.3409539255 -2.0799425568 0.8223520178 H -6.8541030868 0.3788725019 -2.3784516178 H -5.4203251891 -0.5799290779 -2.6769789906 H -7.0143056409 -1.7262744128 -1.1163512546 H -6.8656517854 -0.3930684742 0.0078184065 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Tetramethrin_1R CONF171 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 Tetramethrin_1R CONF171 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Tetramethrin_1R CONF171 gas 0 1