%chk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/fluroxypyr/gas/CONF2/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq

Optimization fluroxypyr CONF2 gas

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Cl  -0.2207788333   2.9773629406  -0.2459975003
Cl  -3.3012103995  -1.4911492231  -0.3588303961
F   -0.7861837667  -2.6647600829   0.5503455940
O    1.7664741293   1.0579480934   0.6368677995
O    2.9275902438  -0.4304703273  -1.2154638875
O    4.1457275764  -1.5790352635   0.2684298388
N    0.4661153352  -0.8189867785   0.5911197315
N   -2.7536378871   1.4424048075  -0.6812833106
C   -1.7047918339   0.7105173848  -0.2755290442
C    0.5924870888   0.4789862189   0.4024799486
C   -0.4530196225   1.2858820038  -0.0225155154
C   -1.8112502901  -0.6786583267  -0.0726746205
C   -0.6972573048  -1.3611082802   0.3566222258
C    2.8229799661   0.2325009305   1.0627822490
C    3.3646782387  -0.7095219576   0.0076912830
H    3.6263375302   0.9127616391   1.3505523150
H    2.5577415400  -0.3633388106   1.9382083952
H   -3.6223592053   0.9996525719  -0.9150514349
H   -2.6429853833   2.4192118949  -0.8792261025
H    3.3104233451  -1.0722010914  -1.8282115654

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/fluroxypyr/gas/CONF2/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx

Wavefunction fluroxypyr CONF2 gas

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/fluroxypyr/gas/CONF2/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10)

Electronic spectrum fluroxypyr CONF2 gas

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--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/fluroxypyr/gas/CONF2/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read

Single Point fluroxypyr CONF2 gas

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