%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization pyraclostrobin CONF125 gas 0 1 Cl -5.7992099747 -0.9364876852 -2.3711355698 O 1.5339923678 -0.5127800893 2.8094417773 O 1.4470344572 0.9265973038 -2.1832395989 O 3.2980003590 -0.7433672004 -2.5666075983 O 4.3196682939 -0.2184542500 -0.6323199281 N -1.7308089641 -0.6048254992 1.8831662488 N 2.2895656330 0.6480281740 -1.1385074730 N -0.4279877010 -0.5862041366 1.5554399682 C 2.2531903339 1.1863078638 1.2406729133 C 2.2766509430 1.6000780228 -0.0887025632 C 2.2770540979 -0.2695237154 1.6236994795 C 2.2355669469 2.1629483926 2.2333726445 C 2.2437285025 2.9532325664 -0.4130959263 C 0.2073527664 -0.5354116456 2.6996598550 C -2.7030199086 -0.6840748578 0.8797672158 C 2.2060318227 3.5084723465 1.9157230485 C 2.2024603170 3.9057913486 0.5863576479 C -1.9144924001 -0.5761511888 3.2224864877 C -0.6774942355 -0.5249585833 3.8002634862 C -3.9545234679 -0.1087905229 1.0615504960 C -2.4134938027 -1.3425871735 -0.3100413725 C 3.3981102343 -0.1152671592 -1.4013371038 C -4.9138508442 -0.1994264922 0.0672844236 C -3.3644997505 -1.4172929513 -1.3113132245 C -4.6132935104 -0.8461202551 -1.1200134626 C 0.1919028761 0.3013791063 -1.9759742913 C 4.3900199015 -1.5835430487 -2.9079076230 H 1.9104171534 -0.8950750214 0.8078403147 H 3.2964192365 -0.5805415566 1.8507666706 H 2.2281581203 1.8617548144 3.2724967870 H 2.2468921061 3.2539584821 -1.4518118656 H 2.1838208000 4.2477284988 2.7053109644 H 2.1784316716 4.9561212618 0.3284361338 H -2.8948949361 -0.6210992505 3.6664530894 H -0.4347257152 -0.4972403969 4.8480301776 H -4.1825669513 0.4388407304 1.9663035016 H -1.4423456251 -1.7965355264 -0.4446686483 H -5.8850927787 0.2529702096 0.2098459808 H -3.1373077265 -1.9297622237 -2.2358137799 H 0.2791291662 -0.7875231893 -2.0167531669 H -0.2513963186 0.5882774271 -1.0202810301 H -0.4489286364 0.6404200086 -2.7879570410 H 4.1430762424 -2.0082812341 -3.8771723924 H 4.5262615758 -2.3870649944 -2.1835600836 H 5.3221255292 -1.0237002574 -2.9854942044 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction pyraclostrobin CONF125 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 pyraclostrobin CONF125 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point pyraclostrobin CONF125 gas 0 1