%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF119/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 9Agua-BF3 CONF119 water 0 1 B -0.0713582636 -1.7950264654 -0.8335269521 F 0.2679110410 -2.8586731904 -1.6590043202 F -1.2010318594 -2.1002458623 -0.0808547955 F 1.0128489802 -1.5152461053 0.0171578333 O -0.3771397694 -0.6130160006 -1.6856332948 H -1.0478989558 0.1587452333 -1.2974643549 H 0.4507125121 -0.1626683091 -2.0787891188 H -1.9163948195 1.9894677450 2.2598335796 H 2.4720197865 3.1221673171 -0.6882932278 H 1.0474807653 -0.5449721225 3.1812232869 O 1.7155535048 0.5494564474 -2.5921920736 H 1.8010925966 1.3094044328 -1.9690425599 O -1.8784153351 1.1298922103 -0.8917291313 H -1.5023899096 1.9803018439 -1.2408072792 H 2.4534400154 -0.0321709589 -2.3776178794 H -1.8065948431 1.1948810233 0.0916268219 O 1.6965544685 2.5641636807 -0.8058896722 H 1.5513496977 2.1006702531 0.0559160455 O -1.4984291365 1.2793382730 1.7621036769 H -1.7253791768 0.4332995967 2.2279775603 O 0.7415327947 -1.4052270211 3.4910266176 H 1.0129434641 -2.0091780049 2.7916302190 O -0.7239132341 3.3662727736 -1.8048957552 H 0.1709373905 3.1924595990 -1.4460547352 H -0.6324745621 3.2278750852 -2.7532536041 O -1.9259157006 -1.0792193473 2.9178774980 H -0.9955258230 -1.2513755915 3.1795826265 H -2.0565650502 -1.6318361362 2.1403509031 O 1.2227587921 1.1450090446 1.4258777491 H 1.2816040468 0.2721665842 1.0179012746 H 0.2630830489 1.2594571983 1.5946276512 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF119/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction 9Agua-BF3 CONF119 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF119/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=20) Electronic spectrum 9Agua-BF3 CONF119 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF119/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 9Agua-BF3 CONF119 water 0 1