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

Optimization Flupyradifurone CONF44 octanol

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Cl   4.6219884102  -2.3239687552   1.4455620412
F   -2.6373385328   3.1186639910  -1.0524997669
F   -1.1754130868   4.5141031667  -0.2152204180
O   -3.6963465165  -0.8582866136   0.7870324088
O   -3.6343964698  -2.8927939539  -0.1160502240
N   -0.8540060997   0.9201889079  -0.5073857099
N    2.3332581370  -1.0996054529   1.3095103193
C    0.2283761722   0.5238820603  -1.3793072693
C   -1.8085741948   0.0306100760  -0.2001052802
C   -0.7747666397   2.2310603567   0.0975370355
C   -2.9280806221   0.3270556603   0.7565191034
C    1.3391210563  -0.2171015466  -0.6792450100
C   -1.9535998677  -1.2485004088  -0.6300382681
C   -1.3075922618   3.3051246278  -0.8242760634
C   -3.1302546702  -1.7993879523  -0.0141158703
C    2.4336503962  -0.6696683113  -1.4121340100
C    1.3445259078  -0.4653445312   0.6839811946
C    3.4659092602  -1.3284002569  -0.7757308924
C    3.3487628886  -1.5080122321   0.5953281056
H    0.6393939306   1.4185811033  -1.8511855133
H   -0.1669315217  -0.0833390769  -2.1967116990
H   -1.3135002506   2.2620339934   1.0460362911
H    0.2693433897   2.4569344336   0.3253571041
H   -2.5582327506   0.5473566761   1.7619319977
H   -3.5509990131   1.1611817375   0.4285337702
H   -1.3278990880  -1.8080864049  -1.3061836602
H   -0.8033843413   3.3467079617  -1.7903354534
H    2.4818669997  -0.5053312066  -2.4820632690
H    0.5265024421  -0.1448015822   1.3181859826
H    4.3266369526  -1.6863497862  -1.3220375462

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

Wavefunction Flupyradifurone CONF44 octanol

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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=n-Octanol) geom=check guess=read td=(singlets,nstates=10)

Electronic spectrum Flupyradifurone CONF44 octanol

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

Single Point Flupyradifurone CONF44 octanol

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