%chk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/mcpa/gas/CONF5/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq

Optimization mcpa CONF5 gas

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Cl   4.3205182341  -0.2495471044   0.3106568663
O   -1.4877093302   0.2364855847  -0.1144154366
O   -4.5924467587  -1.4112278674  -0.1792794593
O   -4.0836321089   0.7620594739  -0.3593055302
C    0.6202406886   1.2148906550  -0.0649797901
C   -0.1543647808   0.0475116420  -0.0094642798
C    1.9953461802   1.0958485195   0.0359822763
C    0.4495492229  -1.1925583422   0.1431368987
C   -0.0364899746   2.5515343169  -0.2290638153
C    2.5980586730  -0.1461077184   0.1885799517
C    1.8321276763  -1.2910579497   0.2427039463
C   -2.3285533914  -0.8695852024  -0.0756639228
C   -3.7495166635  -0.3749275582  -0.2240588452
H    2.6083900048   1.9866368671  -0.0051420052
H   -0.1328065229  -2.1027037825   0.1880672477
H   -0.7204312403   2.7653698646   0.5927714737
H    0.7074447070   3.3455964638  -0.2628613598
H   -0.6238355747   2.6001788976  -1.1463236233
H    2.2971652096  -2.2594935627   0.3613534492
H   -2.1173979833  -1.5825034565  -0.8848721321
H   -2.2429978105  -1.4260125769   0.8680421588
H   -5.4947612454  -1.0791192312  -0.2758479992

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/mcpa/gas/CONF5/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx

Wavefunction mcpa CONF5 gas

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/mcpa/gas/CONF5/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10)

Electronic spectrum mcpa CONF5 gas

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--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/mcpa/gas/CONF5/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read

Single Point mcpa CONF5 gas

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