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

Optimization Cyromazine CONF1 water

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N   -1.4527602461   0.6584538135  -0.0145195695
N    0.7201086405   1.3178634778  -0.0130192572
N    0.1528105322  -0.9861790672   0.0054103361
N    2.4319278425  -0.3245066017   0.0040455749
N    2.9253928002   1.9038232262   0.0330145777
N    1.8350225097  -2.5274584422  -0.0225626370
C   -2.5570634797  -0.2433597589  -0.0072924744
C   -3.8098605840   0.1056773511  -0.7423230761
C   -3.7929101877   0.0935235516   0.7622157937
C   -0.1579759634   0.3092811357  -0.0066061191
C    1.9944444560   0.9361853930  -0.0015773609
C    1.4622455056  -1.2380975917   0.0044698385
H   -2.2477737403  -1.2772671646  -0.0195293779
H   -4.3330323943  -0.6849585951  -1.2646577905
H   -3.8569864993   1.0718445560  -1.2301047624
H   -3.8281660477   1.0518763559   1.2661157058
H   -4.3047847696  -0.7051512258   1.2835793641
H   -1.6522882640   1.6472839148  -0.0192658088
H    2.6481711706   2.8540228028  -0.1431681399
H    3.8863088376   1.6609093311  -0.1349189718
H    1.1447379499  -3.2388007224   0.1456577922
H    2.7979846566  -2.7609899151   0.1474543162

--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 Cyromazine CONF1 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 Cyromazine CONF1 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 Cyromazine CONF1 water

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