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

Optimization Lufenuron CONF18 water

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Cl   2.8932998119  -1.8476624079  -1.3503314290
Cl  -0.8633902301   2.5763172575   0.8116846999
F    6.6268136238   0.4864006929   1.6476903161
F    4.2085560049   1.6479616403   1.6584658289
F    4.0995495643  -0.4862827567   1.4772087935
F    5.9228468066  -0.3337935657  -1.6877744434
F    6.0250054326  -1.7001905399  -0.0247130878
F    7.7297919101  -0.4957620822  -0.5294280598
F   -6.1204431016   0.4734744568   2.3626285929
F   -6.1431013257  -0.6570769500  -2.1724776458
O    3.7334864932   0.7682111677  -0.3339893473
O   -2.0755181590  -2.1020453129  -1.1310347866
O   -4.0806413743   1.0962667079   0.5097526191
N   -1.7748742508  -0.0229073322  -0.2184191291
N   -3.8856704288  -0.9714223323  -0.4189316859
C    5.9429721335   0.6303696003   0.4679440188
C    4.4512215131   0.6268542573   0.8079931601
C    2.3725122347   0.5602544683  -0.2711316628
C   -0.3958732625   0.1244833851  -0.2671623591
C    6.3983908049  -0.4975336613  -0.4569331860
C    1.8435943139  -0.6285590543  -0.7451798252
C    1.5231727433   1.5418950341   0.2007001324
C    0.1600194410   1.3216197192   0.2043630881
C    0.4780043374  -0.8453846246  -0.7551128701
C   -2.5055898894  -1.0865477465  -0.6233165613
C   -6.0715462318  -0.0917630831   0.0946326987
C   -4.5945260154   0.0784064424   0.0819712625
C   -6.7947371498   0.1709979457   1.2529637411
C   -6.8063659303  -0.4169659756  -1.0384014000
C   -8.1698588803   0.1036498770   1.3015087879
C   -8.1831725834  -0.4769945985  -1.0435428238
C   -8.8569053065  -0.2158042280   0.1394139644
H    6.2019022877   1.5885691312   0.0073643777
H    1.9174895582   2.4866084499   0.5482198403
H    0.1012153351  -1.7788527489  -1.1370389116
H   -2.3127114599   0.7398096548   0.1895459700
H   -4.3952336141  -1.7970511278  -0.7087686199
H   -8.6920457136   0.2994409142   2.2279298169
H   -8.7146276935  -0.7179094833  -1.9539289691
H   -9.9367350319  -0.2615350043   0.1567645888

--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 Lufenuron CONF18 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 Lufenuron CONF18 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 Lufenuron CONF18 water

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