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

Optimization Pirimiphos-methyl CONF11 water

0 1
S    2.3729094016  -0.7534016998  -1.9524027995
P    2.3777509001  -0.0751424925  -0.1651809744
O    1.4021592086   1.2062291484   0.1435463626
O    2.0721954211  -1.1622903415   0.9465143503
O    3.7457773987   0.5573633829   0.3521973964
N   -2.4108365677  -1.2148676662  -0.5661848478
N   -2.6271430652   1.0386028768  -0.0996879628
N   -0.5013253953  -0.0001392446  -0.1900207719
C   -3.8566089140  -1.3677249680  -0.5055483547
C   -1.5880547256  -2.4118254320  -0.6742150781
C   -1.8382176425  -0.0301564954  -0.2701835764
C   -4.4219873911  -1.5114493908   0.8986923021
C   -1.2048016653  -3.0449773905   0.6536933142
C   -2.0393253505   2.2038364218   0.1377569335
C    0.0490230633   1.1619015412   0.0417958624
C   -0.6564478219   2.3373169650   0.2136744618
C   -2.9132667571   3.4001491422   0.3228914434
C    1.8983060638  -0.8342996799   2.3352793216
C    4.4939626410   1.4809070683  -0.4471194135
H   -4.3240812241  -0.5214853037  -1.0061781642
H   -4.1083423106  -2.2498309218  -1.0944690049
H   -2.1464684232  -3.1290831391  -1.2763707510
H   -0.6880484146  -2.1708716469  -1.2389089179
H   -4.0604358877  -2.4135179605   1.3909350178
H   -4.1667994076  -0.6565100140   1.5241458044
H   -5.5099674523  -1.5745499661   0.8514620792
H   -2.0763613367  -3.4109786014   1.1954871829
H   -0.5458818526  -3.8963115735   0.4774879634
H   -0.6756372974  -2.3431944664   1.2980699490
H   -0.1743812623   3.2835096833   0.4115380310
H   -3.9653224558   3.1261569892   0.3387000931
H   -2.6719531995   3.9154875745   1.2529442592
H   -2.7559694111   4.1152573510  -0.4860607133
H    1.7952480554  -1.7790828688   2.8612457839
H    0.9978217373  -0.2414409243   2.4921777099
H    2.7613478857  -0.2998544247   2.7301747755
H    4.6457313172   1.0936581065  -1.4548392736
H    5.4585170004   1.6045550326   0.0380559706
H    3.9909543645   2.4463541038  -0.4997757908

--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 Pirimiphos-methyl CONF11 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 Pirimiphos-methyl CONF11 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 Pirimiphos-methyl CONF11 water

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