%chk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/mcpa/gas/CONF1/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq

Optimization mcpa CONF1 gas

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Cl   3.8432932472  -0.8825710102  -0.0882410638
O   -1.6238652167   1.1151527965   0.4830484032
O   -2.7460118267  -0.3090595366  -1.4585737947
O   -3.7900494186  -1.6570003100  -0.0101366356
C    0.6128723094   1.4715409200  -0.0486882264
C   -0.3850399383   0.5792829095   0.3631810711
C    1.9071204432   0.9975453948  -0.1804514593
C   -0.0768529321  -0.7466968881   0.6320897562
C    0.2775599662   2.9027087551  -0.3405408825
C    2.2141328290  -0.3290869734   0.0891028708
C    1.2278763384  -1.2035005263   0.4945508951
C   -2.6879900564   0.2877896391   0.8353256623
C   -3.1298067160  -0.6844524368  -0.2451015890
H    2.6895722405   1.6740053524  -0.4989466657
H   -0.8289350043  -1.4551367248   0.9531750837
H   -0.4698399841   2.9852028718  -1.1303425426
H   -0.1284329980   3.4073326477   0.5370494443
H    1.1630597203   3.4501109444  -0.6590148897
H    1.4613633155  -2.2375899531   0.7052814620
H   -2.5047336903  -0.2805738307   1.7531706498
H   -3.5331586723   0.9497474528   1.0415340505
H   -3.0622296338  -0.9621708389  -2.0971829090

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/mcpa/gas/CONF1/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx

Wavefunction mcpa CONF1 gas

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/mcpa/gas/CONF1/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10)

Electronic spectrum mcpa CONF1 gas

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--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/mcpa/gas/CONF1/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read

Single Point mcpa CONF1 gas

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