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

Optimization Tetradifon CONF1 water

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Cl   0.2119600632   0.4389461935   2.4434579899
Cl  -4.2445489990  -0.2521794128  -1.8205973976
Cl  -4.4608803179   1.9653578699   0.3894400669
Cl   5.4424737377   1.7180978704  -1.0176605511
S    0.4884768858  -1.8660008547   0.1581847887
O    0.2800160533  -2.6753703182  -1.0374921836
O    0.6482285939  -2.5355001558   1.4407892194
C   -0.8949071033  -0.7427295775   0.2574972277
C    1.8769342633  -0.8119475033  -0.1332992836
C   -1.0028122971   0.2285802633   1.2478858088
C   -1.8999622526  -0.8867535681  -0.6841567342
C    1.9008083656  -0.0594751855  -1.3003593482
C    2.9345295738  -0.8005791102   0.7613341431
C   -3.0079563615  -0.0587865330  -0.6488616060
C   -2.1017521650   1.0671356249   1.2770257486
C   -3.1049246265   0.9216757031   0.3321437829
C    3.0002958532   0.7346849231  -1.5690701245
C    4.0424977992  -0.0165562022   0.4845355277
C    4.0611525501   0.7446597029  -0.6735658732
H   -1.8252997393  -1.6413582077  -1.4547613205
H    1.0745792754  -0.0709336024  -1.9997890954
H    2.9137059002  -1.3853723707   1.6699987615
H   -2.1838390468   1.8313699896   2.0374160301
H    3.0297355039   1.3302412743  -2.4705123052
H    4.8778083930  -0.0011100617   1.1703380138

--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 Tetradifon 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 Tetradifon 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 Tetradifon CONF1 water

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