%chk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A3/hymexazole/octanol/CONF1/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq

Optimization hymexazole CONF1 octanol

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O    0.6748806192   1.0823979294  -0.0007736854
O   -2.3780807399  -0.4908244640  -0.0040185712
N   -0.6866336983   1.0574840015   0.0136913258
C    1.0623817637  -0.2085013299  -0.0003909909
C    0.0036974109  -1.0360940653   0.0029461757
C   -1.1862078482  -0.2083749915   0.0022732294
C    2.5188511961  -0.4468981488  -0.0015478492
H    0.0242470996  -2.1130353442   0.0029259659
H    2.9902788939  -0.0032526645  -0.8796531383
H    2.7187300366  -1.5156379328  -0.0083230522
H    2.9891856665  -0.0149900190   0.8830440283
H   -1.1396483857   1.9585081586  -0.0322832892

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A3/hymexazole/octanol/CONF1/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx

Wavefunction hymexazole CONF1 octanol

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A3/hymexazole/octanol/CONF1/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10)

Electronic spectrum hymexazole CONF1 octanol

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--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A3/hymexazole/octanol/CONF1/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read

Single Point hymexazole CONF1 octanol

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