%chk=/home/apulgar/almacen/pesticidas/G2-G4/fenpropimorph/gaussian/water/CONF82/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization fenpropimorph CONF82 water 0 1 O 0.7778569383 3.5781142428 -0.5183466268 N 2.2548360944 1.1567718820 -0.2780214143 C 2.6223827726 -0.0544255808 0.4427474312 C 2.6895566040 -1.3062218669 -0.4482527747 C 0.8313253349 1.1623159505 -0.5722670230 C 2.5753824173 2.3373961522 0.5046165788 C 0.4060390682 2.4383858562 -1.2761400889 C 2.1662227050 3.6028918584 -0.2289116578 C 1.9822586154 -2.5080087799 0.1970146832 C 4.1328365583 -1.6564989982 -0.7906927752 C -1.0931708013 2.4770271250 -1.4821916035 C 2.4576635374 4.8439447493 0.5854485886 C 0.4978401514 -2.3057904581 0.3050865633 C -3.7718886694 -1.4208571084 0.4698364380 C -2.2836663562 -1.7483403279 0.4435642306 C -0.2942333704 -2.2777271886 -0.8435995729 C -0.1318235740 -2.0717251645 1.5195201948 C -1.6478661233 -2.0008827120 -0.7764232594 C -1.4957176810 -1.7999930323 1.5887386372 C -4.0065589012 -0.1150144394 -0.2995183781 C -4.3005561363 -1.2471452619 1.8925126731 C -4.5617386085 -2.5522876840 -0.1987010534 H 1.9344083769 -0.2147648774 1.2886536026 H 3.6049879504 0.1108366947 0.8928997518 H 2.1709885355 -1.0928710423 -1.3879991889 H 0.2316941526 1.0406298597 0.3483539963 H 0.5846868047 0.3191899214 -1.2194555132 H 3.6524734417 2.3670885922 0.6844652509 H 2.0843248247 2.3215393049 1.4938705513 H 0.9058585327 2.4779063070 -2.2556069467 H 2.7312393418 3.6525531645 -1.1718135601 H 2.1876475812 -3.3973332702 -0.4058264313 H 2.4096651417 -2.6964836111 1.1862180462 H 4.6497744426 -0.8112350360 -1.2477832923 H 4.1843557433 -2.4920032995 -1.4909321716 H 4.6916595169 -1.9384281338 0.1046497221 H -1.3989465663 3.3796535434 -2.0123580957 H -1.4125809470 1.6205257779 -2.0765470139 H -1.6259709799 2.4405443720 -0.5303098941 H 1.9311584349 4.8282671952 1.5413372849 H 3.5257510095 4.9129675241 0.7914116317 H 2.1672442107 5.7476443675 0.0485376917 H 0.1603211761 -2.4610663966 -1.8110040035 H 0.4486972061 -2.0922307938 2.4348251698 H -2.2170579535 -1.9770422341 -1.6982189481 H -1.9310441983 -1.6219420246 2.5628982593 H -3.4581958943 0.7144049596 0.1519338591 H -5.0671260208 0.1461021189 -0.2953704882 H -3.6916545106 -0.1933470192 -1.3413799551 H -3.8132403757 -0.4232247856 2.4170888336 H -4.1706289366 -2.1508804854 2.4907011522 H -5.3687127729 -1.0259771876 1.8630022645 H -4.2767329717 -2.6936373139 -1.2419200467 H -5.6308947685 -2.3303970538 -0.1806843299 H -4.4101298366 -3.5007887651 0.3198899721 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G2-G4/fenpropimorph/gaussian/water/CONF82/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction fenpropimorph CONF82 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G2-G4/fenpropimorph/gaussian/water/CONF82/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 fenpropimorph CONF82 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G2-G4/fenpropimorph/gaussian/water/CONF82/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point fenpropimorph CONF82 water 0 1