%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/azoxystrobin_Z/water/CONF168/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization azoxystrobin_Z CONF168 water 0 1 O 1.8242246963 0.9000429814 -1.8095726929 O -2.8835862004 0.2908562394 -1.1876866188 O 1.0193168781 -2.7675659760 1.4498895787 O 2.6183508007 -2.8779972200 -0.6613406637 O 0.0923240380 -0.7801729560 1.8648156361 N 0.5337906346 -0.1421844124 -3.2921653374 N -1.7922714543 -0.4407357383 -2.9859198583 N -3.1844069337 -2.2780650964 1.0923241030 C 2.1880126966 0.5807325030 0.5486703802 C 2.0755406291 1.4262520062 -0.5541042204 C 1.9823110071 -0.8820016170 0.4467289847 C 2.4958189552 1.1721836494 1.7742288427 C 2.2608768150 2.7950389769 -0.4583665913 C 2.6864924513 2.5393721794 1.8893932423 C 2.5704827335 3.3539748886 0.7712343896 C 0.5953446123 0.4698516686 -2.1205162056 C 0.9394176488 -1.4525036118 1.3101423645 C 2.7244656318 -1.5811596648 -0.4389439131 C -0.5108612673 0.6653731341 -1.3066033180 C -1.7000455495 0.1812972028 -1.8247246321 C -2.9663100777 1.0060925282 -0.0188066530 C -3.1235690797 0.2958063696 1.1685161728 C -2.9489193572 2.3872464323 -0.0196671554 C -3.2651144458 0.9816137998 2.3741612161 C -3.0858938159 3.0614230339 1.1855186424 C -3.2421305436 2.3644556472 2.3773947810 C -0.6611416108 -0.5682344627 -3.6567944193 C 0.0684906747 -3.4038136941 2.3047892338 C 3.3829564990 -3.3866045044 -1.7552204245 C -3.1502107922 -1.1261439070 1.1278661222 H 2.6009938124 0.5435711953 2.6493765666 H 2.1644007953 3.4135114107 -1.3413394946 H 2.9325281117 2.9679900389 2.8515930114 H 2.7197900991 4.4221632620 0.8531393360 H 3.4718157253 -1.0547741574 -1.0293918529 H -0.4471583376 1.1696846521 -0.3536251432 H -2.8336388540 2.9288591335 -0.9496583362 H -3.3911945004 0.4266543513 3.2935742723 H -3.0740308087 4.1427098119 1.1903804908 H -3.3518008027 2.9008450100 3.3096622962 H -0.7218411255 -1.0754358726 -4.6110889965 H 0.3357695727 -4.4569202268 2.3106483955 H 0.1235361249 -3.0156400993 3.3221196842 H -0.9478730178 -3.2937292652 1.9278370859 H 3.0277374480 -2.9727636919 -2.6999947662 H 3.2428073280 -4.4639368056 -1.7611718118 H 4.4435196613 -3.1623031747 -1.6327609817 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/azoxystrobin_Z/water/CONF168/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction azoxystrobin_Z CONF168 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/azoxystrobin_Z/water/CONF168/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 azoxystrobin_Z CONF168 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/azoxystrobin_Z/water/CONF168/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point azoxystrobin_Z CONF168 water 0 1