%chk=/home/apulgar/almacen/pesticidas/H/dimethomorph_Z/gaussian/water/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization dimethomorph_Z CONF3 water 0 1 Cl -6.3136050748 0.5929407983 -1.5472107962 O 4.2036635045 -1.8599617211 -0.5051384719 O 0.6808495613 -2.9161001443 2.6436243342 O 1.5212432110 2.9411167550 -1.5950564997 O 3.0184141902 3.2778421446 0.4697683427 N 1.7704068377 -2.6683193762 0.6791422452 C 1.8389292540 -2.3391525820 -0.7343589249 C 3.0465160952 -3.1158540355 1.2167979958 C 2.9728095516 -1.3632611208 -0.9936992274 C 4.1282595999 -2.1049524359 0.8846269739 C 0.6882652231 -2.5559640602 1.4645584537 C -0.8562980341 -0.7939731248 0.5063379759 C -0.5861870324 -2.0503477090 0.8838108108 C 0.1464344373 0.2894012946 0.5656214189 C -2.1991387595 -0.4511786724 -0.0120666336 C 0.3194528733 1.1177704123 -0.5520358216 C 0.9368901879 0.4991005800 1.6829703958 C 1.2829859008 2.1068382235 -0.5605750897 C -2.7907238886 0.7723082312 0.3039869196 C -2.9052794956 -1.3376679429 -0.8251363278 C 2.1020938809 2.2947284322 0.5724021120 C 1.9116420793 1.4946284808 1.6856091731 C -4.0562109796 1.0963792959 -0.1565486113 C -4.1697382452 -1.0266029819 -1.2975099327 C -4.7364123929 0.1912163768 -0.9560950967 C 0.6562414567 2.8724873039 -2.7130937508 C 3.8889714994 3.4916936549 1.5656319933 H 0.9002329918 -1.9182788246 -1.0837949109 H 2.0124198660 -3.2597235911 -1.3008636420 H 3.2964718271 -4.0906771669 0.7872146947 H 2.9797714483 -3.2367362150 2.2947316974 H 3.0827802335 -1.2107433043 -2.0681057890 H 2.7448539714 -0.3926568921 -0.5354741403 H 3.9383217698 -1.1701557594 1.4302624303 H 5.0977278006 -2.4891894800 1.2042270884 H -1.3828277526 -2.7876023243 0.8902762703 H -0.3031483601 0.9587474906 -1.4226465657 H 0.7966263346 -0.0943302908 2.5766001705 H -2.2674916518 1.4826877022 0.9309760942 H -2.4576829168 -2.2797248876 -1.1145462003 H 2.5082665382 1.6354343800 2.5765378526 H -4.5039153021 2.0448574723 0.1072304323 H -4.6977818343 -1.7235206403 -1.9339272402 H 0.9754164230 3.6541974264 -3.3982677675 H -0.3846756514 3.0532855092 -2.4330422680 H 0.7239791219 1.9092320287 -3.2248320291 H 4.5533078450 4.3026950578 1.2772160253 H 4.4900784454 2.6059284760 1.7855654373 H 3.3463955896 3.7866607322 2.4672074544 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/dimethomorph_Z/gaussian/water/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction dimethomorph_Z CONF3 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/dimethomorph_Z/gaussian/water/CONF3/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 dimethomorph_Z CONF3 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/dimethomorph_Z/gaussian/water/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point dimethomorph_Z CONF3 water 0 1