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

Optimization flurtamone CONF2 water

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H   -4.3736820826  -2.1473534608  -1.1945323469
C   -3.4332714943  -1.7198349794  -0.8756710799
C   -3.3867589432  -0.5811140158  -0.0847257138
C   -4.6470882487   0.0722237889   0.3873404097
C   -2.1677908161  -0.0550218326   0.3273406930
C   -0.9655182774  -0.6333240820  -0.0803008203
C   -1.0253865015  -1.7790174754  -0.8815220451
H   -0.1120417220  -2.2445112152  -1.2252895104
C   -2.2418151046  -2.3151438528  -1.2647966423
F   -4.5768925586   1.4085711801   0.3240392171
F   -4.9142439746  -0.2318875739   1.6666912727
F   -5.7147558838  -0.2939773448  -0.3278610565
H   -2.2653065833  -3.2012214599  -1.8847363165
H   -2.1510985358   0.8032210060   0.9882677439
C    2.5560688726   0.1691154467   1.0508891765
O    1.9498540027   1.4383140527   0.8231623616
C    0.7016994059   1.2525822328   0.4005705008
C    0.3264750966  -0.0875646171   0.3279506018
C    1.4583794605  -0.8410141335   0.7212359373
O    1.6229519438  -2.0546708807   0.8121704241
N    0.0250910581   2.3423634697   0.1034460617
C    0.5840005602   3.6804808312   0.1243618717
H   -0.8956257529   2.2256517853  -0.2910689728
H   -0.2310851994   4.3822037966  -0.0202250080
H    1.3130706605   3.8296687974  -0.6721182779
H    1.0519155556   3.9001704461   1.0814159585
C    3.7727320439  -0.0208219001   0.1938743900
C    4.7507045293  -0.9132950004   0.6207967455
H    4.6489331724  -1.4056273453   1.5801742547
C    5.8638315450  -1.1647309267  -0.1683212051
H    6.6193388712  -1.8595288895   0.1742827026
C    6.0118971336  -0.5195584970  -1.3883189162
H    6.8838203586  -0.7067969979  -2.0012049030
C    5.0377745542   0.3718849894  -1.8164564834
H    5.1478153751   0.8807976893  -2.7652073695
C    3.9176649934   0.6173294791  -1.0341527819
H    3.1667523541   1.3112069036  -1.3897070054
H    2.8167145958   0.0995053250   2.1107510878

--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 flurtamone CONF2 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 flurtamone CONF2 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 flurtamone CONF2 water

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