%chk=/home/paulapla/almacen/ADAMA/censo_results/pyrifenox_Z/octanol/CONF23/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq

Optimization pyrifenox_Z CONF23 octanol

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Cl  -0.9584645991  -1.7893862655  -2.3701577469
Cl  -4.4838673127   0.8504275548   0.6785355089
O    0.7821685462  -2.7662333101   0.3290284947
N    1.6584653607  -1.9124371397  -0.2596041276
N    2.2663761284   3.5841304059   0.6530030378
C    2.0623830205   0.2626139418  -1.1156186362
C    1.1648552979  -0.7665063297  -0.4898554343
C   -0.2339769998  -0.3860834198  -0.1802631590
C    2.4581560674   1.3234708975  -0.1252822734
C   -1.2842922881  -0.7978739033  -0.9943375451
C   -0.5347961860   0.4190416714   0.9132658227
C    3.3071237670   1.0292063697   0.9363651877
C    1.9690077195   2.6207774459  -0.2106403757
C   -2.5940733459  -0.4251867939  -0.7441873866
C   -1.8361812868   0.8071695592   1.1887599016
C   -2.8534194337   0.3788043897   0.3534611142
C    3.6276292382   2.0255858353   1.8410709426
C    3.0795994406   3.2868952688   1.6571959798
C    1.3719907562  -4.0437379650   0.4662234540
H    2.9526336357  -0.2386683256  -1.5002996832
H    1.5520850288   0.7188548431  -1.9674760964
H    0.2564366754   0.7444796198   1.5749070282
H    3.7109315217   0.0303077795   1.0536890393
H    1.3003688591   2.8907984300  -1.0222781049
H   -3.3939828165  -0.7548447757  -1.3921690335
H   -2.0465094071   1.4326148339   2.0448782491
H    4.2874816654   1.8324898072   2.6757532525
H    3.3099742670   4.0874183452   2.3510596779
H    1.6138028419  -4.4866631636  -0.5029800116
H    0.6321830997  -4.6691126808   0.9635714547
H    2.2756479178  -4.0107219956   1.0794609606

--Link1--
%oldchk=/home/paulapla/almacen/ADAMA/censo_results/pyrifenox_Z/octanol/CONF23/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 pyrifenox_Z CONF23 octanol

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/paulapla/almacen/ADAMA/censo_results/pyrifenox_Z/octanol/CONF23/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 pyrifenox_Z CONF23 octanol

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--Link1--
%oldchk=/home/paulapla/almacen/ADAMA/censo_results/pyrifenox_Z/octanol/CONF23/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read

Single Point pyrifenox_Z CONF23 octanol

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