%chk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/thiobencarb/octanol/CONF25/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq

Optimization thiobencarb CONF25 octanol

0 1
Cl   5.7553134849  -0.3081236898   0.4205159808
S   -1.0231097810  -0.2705740669   0.0436794307
O   -2.7637050178   1.3767897468  -1.0456946439
N   -3.6752072549  -0.2707105464   0.2108822727
C   -5.0326973075   0.1845256339  -0.0664916397
C   -3.5290971299  -1.4267992256   1.0814267832
C   -2.6466665825   0.3947981168  -0.3348782774
C   -5.5141483202   1.2320882571   0.9220592769
C   -3.5519563686  -2.7470604902   0.3307320428
C    0.0160222670   0.9069276114  -0.8810247534
C    1.4462393146   0.5979477127  -0.5581885671
C    2.0582819309   1.1726676352   0.5519163819
C    2.1839481877  -0.2759820643  -1.3498356310
C    3.3809154193   0.8990573153   0.8605935005
C    3.5086218234  -0.5618482351  -1.0556250779
C    4.0970708810   0.0328456293   0.0488243505
H   -5.0856547814   0.5670066887  -1.0843645704
H   -5.6818026222  -0.6906854517  -0.0318988984
H   -2.6175367813  -1.3359610769   1.6746476323
H   -4.3451021769  -1.3928847111   1.8047043109
H   -5.4944639631   0.8533968946   1.9448770019
H   -4.8991943068   2.1308850681   0.8797665635
H   -6.5415551401   1.5187204338   0.6949709831
H   -3.4784167441  -3.5784676615   1.0323632117
H   -4.4798423957  -2.8673800260  -0.2301686702
H   -2.7194893871  -2.8234451458  -0.3691152925
H   -0.2398448804   1.9215061241  -0.5799828321
H   -0.1777522447   0.8006652908  -1.9475251323
H    1.4991179923   1.8514135655   1.1846723633
H    1.7256372702  -0.7386029046  -2.2155767767
H    3.8453055433   1.3601517592   1.7218672682
H    4.0723310769  -1.2372214379  -1.6851126328

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/thiobencarb/octanol/CONF25/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 thiobencarb CONF25 octanol

0 1

opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/thiobencarb/octanol/CONF25/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 thiobencarb CONF25 octanol

0 1

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/thiobencarb/octanol/CONF25/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read

Single Point thiobencarb CONF25 octanol

0 1