%chk=/home/apulgar/almacen/pesticidas/23_herbicides/barban/gaussian/water/CONF1/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq

Optimization barban CONF1 water

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Cl   5.8620006529   1.5786269980  -0.0001739334
Cl  -7.5145411859   0.2269247516  -0.0029838872
O   -1.1720886212   0.2795147566   0.0005357929
O   -0.2125037710  -1.7667958320   0.0060974683
N    1.0199000056   0.1672402572  -0.0019587763
C    2.3391411960  -0.2906724534  -0.0017464795
C    3.3255928615   0.6972150235  -0.0013339722
C    2.7139454528  -1.6333468675  -0.0021851944
C    4.6581237009   0.3334375507  -0.0011595896
C    4.0615293712  -1.9623695064  -0.0015975506
C    5.0524499449  -0.9946372185  -0.0009812743
C   -0.1148038149  -0.5631160107   0.0024656912
C   -2.4376398046  -0.2406303948   0.0022058459
C   -3.4850433103   0.5817820118   0.0008108365
C   -4.8340662512   0.0582717101   0.0016673232
C   -5.9039338710   0.8506220576  -0.0013769853
H    3.0439139729   1.7429162907  -0.0010400840
H    1.9835012278  -2.4245542029  -0.0027836287
H    0.9053920400   1.1724475073  -0.0047723112
H    4.3435744098  -3.0066626933  -0.0015394158
H    6.0979817563  -1.2687402735  -0.0004163778
H   -2.5277465206  -1.3197899166   0.0046775520
H   -5.8530999199   1.9318146753  -0.0030835520
H   -4.9545692441  -1.0200017348   0.0042579311
H   -3.3440955160   1.6572944619  -0.0014809646

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/23_herbicides/barban/gaussian/water/CONF1/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction barban CONF1 water

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/23_herbicides/barban/gaussian/water/CONF1/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 barban CONF1 water

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--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/23_herbicides/barban/gaussian/water/CONF1/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read

Single Point barban CONF1 water

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