%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Cyflumetofen CONF808 water 0 1 F -2.6753080171 3.9136407630 0.0394899735 F -4.0969291519 2.3829930416 0.5218868880 F -2.4844558188 1.9741018556 -0.8453972289 O -1.0555299602 -3.0055222147 -1.3423917838 O -3.1786040796 -0.4282632853 0.5010925878 O -1.7581989432 -0.9658961402 -1.9762789287 O 0.9198257321 -2.1290188337 -3.1524479978 N -1.2716345776 -3.3326726189 1.9027660869 C 4.5417477274 0.6088566378 -0.1932152229 C 3.1003085785 0.1360120721 -0.0598959323 C 5.1416229521 0.8164493689 1.2022450084 C 5.3479688292 -0.4593938422 -0.9423605394 C 4.6488867264 1.9224988661 -0.9650570183 C -0.9814900643 -1.3145675594 0.2767230926 C 0.4573179434 -0.8164482129 0.1947200992 C 2.0245759146 0.8257873380 -0.6136247328 C 2.8138387200 -1.0466208945 0.6233474327 C 0.7247195180 0.3592886885 -0.4943772297 C 1.5186380767 -1.5217634105 0.7473470594 C -2.0221055259 -0.2646047031 0.7777411280 C -1.3419820697 -1.7385921597 -1.1599583388 C -1.5446068286 0.8498319201 1.6395119295 C -1.1216826569 -2.4556590675 1.1735088045 C -1.9382681040 2.1807832571 1.4492150015 C -0.7342814605 0.5264705227 2.7230677492 C -1.5156068648 3.1514015828 2.3466647902 C -2.7986067910 2.6081481273 0.2915619614 C -0.9419025691 -3.5268747826 -2.6811449468 C -0.3343654981 1.4986063485 3.6247622025 C -0.7225598742 2.8126104745 3.4330826926 C 0.5042539268 -3.4715936191 -3.0996847562 C 2.3219716744 -1.9896799174 -3.1960700240 H 4.5900248224 1.5746129120 1.7613248404 H 5.1405198582 -0.1009074043 1.7923668617 H 6.1776679412 1.1516890101 1.1212559671 H 4.9413920465 -0.6350523152 -1.9405958069 H 5.3573918075 -1.4127347015 -0.4123804290 H 6.3850909702 -0.1378038840 -1.0577636038 H 4.1062479958 2.7334723741 -0.4757870054 H 4.2734438240 1.8321609188 -1.9861187358 H 5.6954679344 2.2239633677 -1.0297605751 H 2.1805957889 1.7474950909 -1.1560702511 H 3.6133261503 -1.6236687312 1.0707963988 H -0.0718673390 0.9351565609 -0.9453990598 H 1.3536700954 -2.4451696969 1.2875789469 H -0.4251453529 -0.4964849771 2.8919235390 H -1.7957549388 4.1864050298 2.2121545465 H -1.5957052927 -2.9878731883 -3.3666616737 H -1.2735376141 -4.5620255485 -2.6293988525 H 0.2826692241 1.2247020968 4.4692414782 H -0.4077024229 3.5826499016 4.1236529270 H 1.1131023249 -4.0452067982 -2.3887166252 H 0.5981138917 -3.9652821543 -4.0760382050 H 2.5504431426 -0.9253107180 -3.2336704619 H 2.8013934239 -2.4221345430 -2.3107281649 H 2.7550479593 -2.4653069677 -4.0829798305 --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 Cyflumetofen CONF808 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 Cyflumetofen CONF808 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 Cyflumetofen CONF808 water 0 1