%chk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/pyrimidinyl_benzoates/pyriftalid/water/CONF10/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq

Optimization pyriftalid CONF10 water

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S    0.4200538563   2.1327347236   0.3895603588
O   -2.1780853632  -1.4990015045   1.6806633306
O   -0.1366226664  -0.6646300424   1.9591741683
O    4.6820360849  -0.2223299930   0.3369412312
O    1.1365398531  -2.1892379280  -1.9223554089
N    2.6360702342   0.8134861598   0.3050422334
N    0.8489052542  -0.1653033944  -0.8921732540
C   -3.4156056323  -1.1713342034   1.0231205230
C   -3.1118018669   0.1248295649   0.3431095100
C   -1.7964561779   0.4610089098   0.5899696043
C   -1.2285183479   1.6094796669   0.0432173146
C   -1.2298056970  -0.5752869225   1.4634536615
C   -3.8199728433  -2.2821976223   0.0796161149
C   -3.9302641817   0.9319940639  -0.4289771594
C   -2.0405858554   2.4208451743  -0.7353362600
C   -3.3773456231   2.0869410592  -0.9581867929
C    1.3917533387   0.7564776503  -0.1299207293
C    3.4165461250  -0.1993909712  -0.0525661496
C    1.6313236992  -1.1909882865  -1.2043405253
C    2.9587935782  -1.2670482081  -0.8123023618
C    5.1790531635   0.8381958969   1.1469597039
C   -0.2515917105  -2.1748624606  -2.2428980037
H   -4.1722282860  -1.0418535288   1.8010417586
H   -4.7699102703  -2.0281261179  -0.3896990144
H   -3.0775000206  -2.4266274465  -0.7056793046
H   -3.9551451146  -3.2201400553   0.6172775119
H   -4.9643602674   0.6732874516  -0.6146373423
H   -1.6361382523   3.3199903441  -1.1810220559
H   -3.9854254076   2.7421309778  -1.5674178351
H    3.5921294940  -2.1026800737  -1.0731997890
H    5.1484574088   1.7944169045   0.6249048403
H    6.2137460815   0.5835051576   1.3601932172
H    4.6320420542   0.9220542543   2.0856421389
H   -0.8700144550  -2.1029178756  -1.3476993851
H   -0.4489920347  -3.1215495467  -2.7385603542
H   -0.5030920084  -1.3580397906  -2.9193050061

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/pyrimidinyl_benzoates/pyriftalid/water/CONF10/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction pyriftalid CONF10 water

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/pyrimidinyl_benzoates/pyriftalid/water/CONF10/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 pyriftalid CONF10 water

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--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/pyrimidinyl_benzoates/pyriftalid/water/CONF10/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read

Single Point pyriftalid CONF10 water

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