%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Tetraniliprole CONF5 water 0 1 Cl 1.0276219957 -2.0231285238 2.1339187686 F -5.3520357122 -0.4224032247 -1.8653504347 F -6.6780433736 0.8184248880 -0.7169063998 F -5.0973778977 1.7214153412 -1.8636848025 O 1.6745858303 3.5581296036 -1.0125402594 O -1.1339286394 -0.5870343827 -0.7212199306 N 1.0292120914 0.9683135116 1.3017203083 N 2.2512413994 1.4670087838 -1.5807189876 N 0.0148894319 0.8271360839 2.1482229579 N -3.2379086105 1.0089296089 1.5684986258 N 3.3161420971 1.1425529298 1.4135844130 N -3.8604549791 1.5791888068 0.5775378714 N -3.4483876493 -0.2729086808 1.6603902300 N -0.5116486843 0.6376602611 -2.5027424498 N -4.2598687735 -0.5829677842 0.7065518505 N 2.7158417357 -5.1636201686 -0.5121864187 C 0.7639467381 1.8994054723 0.3397732398 C -0.9196309593 1.6503573884 1.7269590261 C 2.3037394907 0.0696460410 -1.4719692793 C -0.4951725331 2.3703036609 0.5987388339 C -2.2510400811 1.7000060585 2.3903808684 C 1.6169931155 2.3623337980 -0.7832609834 C 3.5741340181 -0.5292350530 -1.4836904779 C 1.1434361122 -0.7063239987 -1.3677756235 C 2.2706262475 0.3548033265 1.5651831619 C 3.6619827021 -1.8942891700 -1.2773236406 C 1.2598580838 -2.0677507800 -1.1315182791 C 2.5144241725 -2.6556931022 -1.0731683597 C 4.8137337487 0.2794224002 -1.7104215234 C -0.2612006462 -0.1894388932 -1.4889446771 C 2.3797553255 -0.9789836600 1.9557327944 C 3.6498300660 -1.4850942188 2.1799431519 C -4.4906609054 0.5570686142 0.0559263242 C 4.5293022257 0.6490076688 1.6169829069 C 4.7465728396 -0.6599358510 2.0082513216 C 2.6258434940 -4.0427862031 -0.7703527459 C -5.4104650953 0.6710226932 -1.1091280941 C -1.8278943749 1.1917725481 -2.7243380806 H -1.0459791897 3.1012061877 0.0299256160 H -2.5996633607 2.7213654986 2.5228152373 H -2.2308041890 1.2094579110 3.3603395256 H 2.9010477831 1.8928556255 -2.2322466147 H 4.6345055798 -2.3678847326 -1.2475011928 H 0.3734484483 -2.6742911475 -1.0086776998 H 4.8644958852 0.6345370039 -2.7426861133 H 4.8645505642 1.1580045313 -1.0685671451 H 5.7025597063 -0.3204732322 -1.5268280184 H 3.7771626799 -2.5177970249 2.4749314565 H 0.2321783325 0.8986075992 -3.1302733335 H 5.3576349595 1.3303037602 1.4731374195 H 5.7486778991 -1.0280995865 2.1737111396 H -2.5584707423 0.4139668661 -2.9463496719 H -1.7755388057 1.8648838612 -3.5746008200 H -2.1688494277 1.7600311213 -1.8596347260 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Tetraniliprole CONF5 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Tetraniliprole CONF5 water 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Tetraniliprole CONF5 water 0 1