%chk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq

Optimization pendimethalin CONF20 water

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O    0.2490102763   2.5379035390  -1.4290423061
O    0.5067476830   2.8789675898   0.6666376140
O    0.1845283771  -2.8383693422  -1.2112849054
O   -1.5517756019  -3.4943725277  -0.1753972609
N    1.0267177319  -0.3322243424  -0.9102920932
N    0.0765578207   2.2481695776  -0.2697354424
N   -0.8147249360  -2.6084032580  -0.5500074155
C    2.2627162141   0.2642197484  -0.3768599860
C    3.4126783797  -0.3213398049  -1.1947401746
C    2.4047417281   0.0388442971   1.1307109746
C   -0.2199264412  -0.1862940133  -0.3912069750
C   -0.7323338670   1.0685692825   0.0100566834
C   -1.1354740724  -1.2531619592  -0.2063873429
C   -1.9790101343   1.2947849789   0.5681574744
C    4.7705207140   0.2342951309  -0.8000398394
C    2.5632850265  -1.4166682761   1.5413708377
C   -2.8314688388   0.1905947579   0.7591033884
C   -2.3964663747  -1.0464946550   0.3534284273
C   -2.4743093502   2.6556315705   0.9463481718
C   -4.1901132942   0.3547406316   1.3676715424
H    2.2866116733   1.3377985803  -0.5676404453
H    3.4190707944  -1.4117405215  -1.1036892646
H    3.2262319758  -0.1017268321  -2.2486555127
H    1.5390282837   0.4665092639   1.6433561482
H    3.2614761638   0.6192551371   1.4809851350
H    1.1857492027  -1.2707676698  -1.2453974664
H    5.0602961412  -0.0610078886   0.2089347687
H    5.5423803636  -0.1297335282  -1.4781016584
H    4.7828716121   1.3248390636  -0.8437068972
H    2.5743805652  -1.5057471120   2.6277790082
H    1.7444890925  -2.0380418523   1.1749426717
H    3.4948520315  -1.8475904222   1.1725477913
H   -3.0593346185  -1.8907497968   0.4775577899
H   -1.9317426026   3.4829556663   0.4985589650
H   -3.5173214801   2.7658441007   0.6540526171
H   -2.4321385970   2.7792287934   2.0303317726
H   -4.6672468854  -0.6134441814   1.5076746171
H   -4.1377272763   0.8444606559   2.3412078901
H   -4.8471960058   0.9594793887   0.7399739020

--Link1--
%oldchk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction pendimethalin CONF20 water

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=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 pendimethalin CONF20 water

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--Link1--
%oldchk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read

Single Point pendimethalin CONF20 water

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