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

Optimization Benzpyrimoxan CONF54 water

0 1
F   -5.4736184587   1.6054986479   0.7486155679
F   -5.3640362457   1.6999407959  -1.3981846291
F   -4.0984274773   2.9560760159  -0.1993693721
O    4.0597689329   0.9287060278   1.0753982131
O    2.8203439170   0.7966858546  -0.8758435737
O    0.8130991621  -1.3572067330  -0.0232386338
N    2.0712805468  -3.2637210534   0.1398696532
N    4.3876418047  -3.1208850983   0.5880609283
C    2.9432537726   0.3651602731   0.4548748624
C    3.7816724433   2.9214274962  -0.2601104780
C    3.9552382624   2.3481943720   1.1342502422
C    2.6305543449   2.2068737407  -0.9441880048
C    3.0857226365  -1.1270914325   0.4348843039
C    1.9787099790  -1.9502097216   0.1786229904
C    4.2752850643  -1.7888842462   0.6287621688
C   -0.3640976916  -2.1622472004  -0.1858286572
C   -1.5119463393  -1.2020644491  -0.2191577115
C   -2.0424975727  -0.7718232241  -1.4281295296
C   -2.0264593896  -0.6902498533   0.9679662561
C   -3.5687766295   0.6704667057  -0.2676358429
C   -3.0680695295   0.1609348716  -1.4581418436
C   -3.0492334290   0.2412617662   0.9493790332
C    3.2754434348  -3.7816504503   0.3464068034
C   -4.6283355724   1.7253309154  -0.2821510369
H    2.0378753814   0.6577726845   1.0152024176
H    3.5763727973   3.9914578685  -0.1996029905
H    4.7006975210   2.7929152446  -0.8365927602
H    3.1045364103   2.6287727693   1.7686354228
H    4.8632597988   2.7117924758   1.6133470749
H    2.5618015394   2.4664686526  -2.0000972849
H    1.6787419666   2.4771331917  -0.4684868915
H   -0.4589585151  -2.8587421126   0.6485070548
H   -0.3015969435  -2.7367380971  -1.1111562217
H    5.1865888123  -1.2412406795   0.8308962205
H   -1.6537091339  -1.1659906017  -2.3584809079
H   -1.6267297484  -1.0229460970   1.9177035572
H   -3.4619309844   0.4796542050  -2.4135558953
H   -3.4308737368   0.6242276279   1.8864013217
H    3.3412854622  -4.8623139907   0.3144892089

--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 Benzpyrimoxan CONF54 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 Benzpyrimoxan CONF54 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 Benzpyrimoxan CONF54 water

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