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

Optimization Propetamphos CONF158 water

0 1
S   -1.5463650346  -0.4617291571   2.3868427045
P   -1.9854061758  -0.3233466025   0.5203901092
O   -1.1759496654  -1.3437180569  -0.4834390159
O    3.0196318841   0.4586413119   0.3403007369
O   -3.4093452239  -0.8984444331   0.0616017227
O    3.1075352575  -1.1692657779  -1.1926769481
N   -1.8703587087   1.1904102779  -0.0890701148
C    4.4498071584   0.6701313258   0.2891982851
C   -2.0163119052   1.5037588313  -1.5095679626
C    0.1504599973  -1.3470706346  -0.7833589746
C    4.8397199360   1.2578630596   1.6282975464
C    4.8005504278   1.5843653646  -0.8673862348
C   -2.6980046799   2.8409188560  -1.7079699020
C    1.0237753148  -0.5216297123  -0.1802468771
C    2.4654875827  -0.4774301369  -0.4289976623
C    0.4105366973  -2.3716738917  -1.8278535167
C   -4.5897002465  -0.4323316163   0.7226694064
H    4.9459033466  -0.2945327300   0.1635341807
H   -2.6059449044   0.7198045222  -1.9838659320
H   -1.0378032430   1.5007354811  -1.9957090761
H   -1.3051763958   1.8389608324   0.4424500786
H    5.9192372827   1.4048902524   1.6569246710
H    4.5751478139   0.5923673412   2.4503357385
H    4.3666833547   2.2262652291   1.7980732471
H    4.3155174265   2.5560602658  -0.7624459654
H    4.5195258107   1.1585215112  -1.8302382368
H    5.8782562406   1.7493420754  -0.8844531320
H   -3.7044612509   2.8369241778  -1.2888769266
H   -2.1344597854   3.6482569057  -1.2379488576
H   -2.7740121476   3.0656126193  -2.7719622485
H    0.6807887826   0.1671772752   0.5797483313
H   -0.2090821714  -2.1684379037  -2.7030144625
H    0.1260748866  -3.3572363691  -1.4538645995
H    1.4469848050  -2.4049900060  -2.1358384028
H   -4.7767602037   0.6188225089   0.5003502173
H   -5.4157575850  -1.0298216204   0.3457382135
H   -4.5171150975  -0.5664259060   1.8027377280

--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 Propetamphos CONF158 water

0 1

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 Propetamphos CONF158 water

0 1

--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 Propetamphos CONF158 water

0 1