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

Optimization Benzpyrimoxan CONF29 water

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F   -4.3874006564   2.7235662187   0.7447076253
F   -5.6473204687   0.9821033505   0.6729719982
F   -5.1568073820   2.0269416808  -1.1388481674
O    3.1495702328   0.6989303684  -1.0606144923
O    2.4460042785   0.8080213595   1.1518775377
O    1.0804418662  -1.2632687219  -0.3799242765
N    2.1425053117  -3.2547098494  -0.0050535889
N    4.3969979410  -3.2992513178   0.7101014325
C    3.3891333479   0.2854277325   0.2565107771
C    2.2075507394   2.7646515128  -0.2473297578
C    3.2047518774   2.1159615383  -1.1878260133
C    2.4441752518   2.2326662093   1.1533351349
C    3.3171949308  -1.2081563701   0.2978332426
C    2.1635584372  -1.9377462016  -0.0334536085
C    4.4045318487  -1.9639063974   0.6651719589
C   -0.1500547804  -1.9477271729  -0.5802494098
C   -1.2707399439  -0.9576555603  -0.4551026093
C   -2.4855893161  -1.2421624316  -1.0740344133
C   -1.1611666035   0.1966714566   0.3103944282
C   -3.4569686421   0.7455070836  -0.1405998998
C   -3.5740315522  -0.4041804501  -0.9165474162
C   -2.2470296383   1.0459465870   0.4657533944
C    3.2599149595  -3.8672543223   0.3670122929
C   -4.6536281333   1.6222923946   0.0366448479
H    4.3979921853   0.6132075549   0.5636099449
H    2.3324916665   3.8487309554  -0.2596885169
H    1.1860519464   2.5452833160  -0.5688923994
H    4.2201942405   2.4700845865  -0.9659702295
H    2.9915712115   2.3471234128  -2.2309547441
H    1.6613164473   2.5444774337   1.8438929024
H    3.4022273082   2.6025968978   1.5419673354
H   -0.2759682851  -2.7355576124   0.1657759031
H   -0.1613290606  -2.4230018829  -1.5638742111
H    5.3306954654  -1.4725650143   0.9423509112
H   -2.5840299074  -2.1314955342  -1.6844082589
H   -0.2333836298   0.4504968192   0.8031445979
H   -4.5073818392  -0.6528331289  -1.4058907637
H   -2.1282183145   1.9345600731   1.0700284737
H    3.2244782818  -4.9496566861   0.3869906683

--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 CONF29 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 CONF29 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 CONF29 water

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