%chk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF720/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 15-agua/ CONF720 water 0 1 O -0.4882278429 -0.5297393750 1.5908747920 H -0.5799101425 3.4771627405 -0.2452398393 H 2.8314706901 1.6634121965 1.6292664997 O 3.4930944450 0.0999352030 -1.2964899576 H 4.1559096211 0.3384012742 -1.9515556048 O 1.6532834544 2.0543724143 -1.0857812737 H 1.8596692903 2.2832102318 -0.1526592394 H 2.8316613987 0.8355771017 -1.2965554924 H 0.8573891287 1.4864097133 -1.0342596733 O -1.3386002179 3.4594141339 0.3479134000 H -1.0155827845 2.9550027550 1.1245863460 O 2.3264324591 2.4979611334 1.5472584613 H 1.4599440926 2.3165971083 1.9552667461 O -2.9446497977 -2.5365707357 -2.4535347272 H -1.9784519768 -2.3778770873 -2.4251806165 H -3.0524435097 -3.4268181942 -2.1053700397 O -2.7501125039 -1.9389777961 1.7294979632 H -3.2118490217 -1.5759564314 0.9330565131 H -3.2367565471 -1.5815990947 2.4787348612 O -2.8603204734 1.6909664787 -1.0005350123 H -2.3866884047 2.3888489078 -0.4856662679 H -2.9733002030 2.0517637049 -1.8854383988 O -3.9463654798 -0.9464335996 -0.4524694365 H -3.5804143592 -0.0604407601 -0.5992889075 H -3.5945992647 -1.4934974853 -1.1881481564 O 2.2425395413 -2.3644238852 -1.0186846687 H 2.7000094226 -1.5261772975 -1.2265492313 H 1.3829980670 -2.2979997614 -1.4738109805 O -0.4745472514 0.2893092623 -0.9635988162 H -0.4716215966 -0.0195954761 -0.0235288300 H -1.3412102202 0.7326967206 -1.0758138368 O 1.8311505608 -1.8920509072 1.5774268541 H 1.9391097559 -2.7107606912 2.0718481068 H 1.9604145177 -2.1318836445 0.6229813883 O -0.2839260021 1.9870327346 2.4099311033 H -0.3973663221 1.0291591370 2.1976687453 H -0.5876601563 2.1029980097 3.3154120112 O -0.2443768748 -1.9691420740 -2.3197742013 H -0.3485695408 -1.0973411002 -1.8561893288 H 0.0236689513 -1.7425086249 -3.2169405062 O 3.8126235605 0.1349053774 1.5213068893 H 3.8813909593 0.1381974533 0.5499183231 H -1.2944534812 -1.0952903541 1.6909334076 H 3.1653389790 -0.5719914243 1.6921079031 H 0.3062067102 -1.1049063630 1.6668969274 --Link1-- %oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF720/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction 15-agua/ CONF720 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF720/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read Wavefunction 15-agua/ CONF720 water 0 1 $nbo PLOT File=opt-b3lyp bndidx nbcp ncu $end --Link1-- %oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF720/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 15-agua/ CONF720 water 0 1