%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/basicity/gas/CONF139/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq Optimization basicity/ CONF139 gas 1 1 O -0.4225876939 -2.3456375003 1.9046740802 H -1.0568853582 -2.3573286107 1.1708616825 H -0.4978543741 -3.1870046498 2.3590980398 H 2.8478887498 1.2863135066 0.8271612187 H -2.3422104731 1.0217467186 0.9657047064 H -2.6774738447 -2.2741220663 -0.8100116770 O -4.2130972678 2.1791053010 -1.2127095186 H -5.1432693463 2.1964640875 -0.9772823471 O 1.9304141580 0.9126538919 0.9503911415 H 1.9391513103 -0.1692292413 0.9505287863 H -4.0342725174 3.0000818731 -1.6765965924 H 1.3093512946 1.1903064775 0.1760966724 O -2.2778797254 0.8234644966 0.0273782774 H -3.0025032115 1.3239955143 -0.4145665497 O 4.3471161498 1.8512661033 0.5937639861 H 4.5099570031 2.7940380033 0.6782358813 O -1.9026596977 -1.8216440715 -0.4682082162 H -2.1610890997 -0.8884573245 -0.3025072420 O 1.8481958600 -1.5198900017 0.8121729643 H 1.0787474581 -1.8781409233 1.3243789086 H 1.6320598383 -1.6940580423 -0.1200111090 O 0.5254003442 -1.4108111400 -1.7188576530 H -0.3632858471 -1.6956606273 -1.4313083007 H 0.7019016406 -1.8306438725 -2.5638310161 O 0.3468808780 1.3257308541 -0.9609233480 H -0.5714623285 1.3091877593 -0.6389140699 H 0.4441023166 0.5114230642 -1.4841251545 H 5.0807720927 1.4086535367 1.0280047986 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/basicity/gas/CONF139/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx Wavefunction basicity/ CONF139 gas 1 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/basicity/gas/CONF139/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read pop=nbo7read Wavefunction basicity/ CONF139 gas 1 1 $nbo PLOT File=opt-b3lyp bndidx nbcp ncu $end --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/basicity/gas/CONF139/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read Single Point basicity/ CONF139 gas 1 1