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

Optimization Cyanophos CONF15 water

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S    1.5683349725   1.1951766216  -1.6825569343
P    1.8855112355   0.2416846038  -0.0564421987
O    0.7320064856  -0.8346468045   0.3552073030
O    3.1642101578  -0.6984711321   0.0345300207
O    2.0546620799   1.1952414113   1.1983059576
N   -5.8351020108   0.3788258910  -0.2117759729
C   -0.6064930041  -0.5539546048   0.2299198725
C   -1.2828558003   0.0240274838   1.2942352215
C   -1.2576506806  -0.8899323892  -0.9480221873
C   -2.6410192318   0.2595229707   1.1826843838
C   -2.6149848931  -0.6545740587  -1.0599422010
C   -3.3067375406  -0.0780053898   0.0051668837
C    3.3901662625  -1.7286531936  -0.9379459466
C    2.3898452728   0.7102340672   2.5106499895
C   -4.7044655125   0.1719007373  -0.1134838424
H   -0.7580362133   0.2771841027   2.2061744900
H   -0.7104895673  -1.3404599054  -1.7645888802
H   -3.1827651966   0.7056891371   2.0053014059
H   -3.1363771568  -0.9138597315  -1.9711866255
H    2.6926415040  -2.5530700397  -0.7954637041
H    4.4052123372  -2.0843959237  -0.7866880345
H    3.2938167288  -1.3389824675  -1.9516652760
H    2.1637291590   1.5171005177   3.2021018516
H    3.4508645937   0.4738562487   2.5677827856
H    1.8022974721  -0.1653195277   2.7842375951

--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 Cyanophos CONF15 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 Cyanophos CONF15 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 Cyanophos CONF15 water

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