%chk=/home/apulgar/almacen/pesticidas/unknown_herbicides/oxaziclomefone/gaussian/water/CONF2/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization oxaziclomefone CONF2 water 0 1 Cl 4.3588631859 -1.2254718454 2.6270976453 Cl 2.6907351512 -1.4848930548 -2.4685336346 O -1.6388518948 2.1749632286 -1.8628165080 O -0.7589637050 -0.0351100782 1.3320058692 N -0.4662232668 1.8816850678 0.1434101709 C 0.8562681698 2.1754871749 0.7294564061 C 1.7411184580 0.9439363548 0.5491957198 C 0.7022537843 2.6143425361 2.1852552210 C 1.5487140971 3.3104709535 -0.0332870922 C -1.2051661452 2.8031293796 -0.6702943218 C -1.1250272732 0.7279513580 0.4442995513 C -2.2510389750 0.4065672289 -0.4502156612 C -2.3586156859 1.0625129482 -1.6288146009 C 1.7978552697 0.3396711468 -0.7042903021 C 2.5389359905 0.4562474540 1.5744352231 C -3.1110886066 -0.7512849337 -0.1292277303 C 3.3726791995 -0.6259336870 1.3366324137 C 2.6357545495 -0.7401550615 -0.9070326468 C -3.2021151474 0.6707615663 -2.7857381376 C 3.4395266758 -1.2468180192 0.1026549273 C -4.4869863931 -0.5741040056 0.0117620899 C -2.5838866100 -2.0352986577 0.0177070975 C -5.3185062892 -1.6509717956 0.2884357172 C -3.4132205814 -3.1106184409 0.3007231793 C -4.7826584174 -2.9225388910 0.4382749303 H 0.0195348836 3.4633208977 2.2291863238 H 0.3080080527 1.8278984200 2.8258799826 H 1.6549171236 2.9453709550 2.5985669004 H 1.0566230224 4.2703988994 0.1269961945 H 1.6060738723 3.1186518810 -1.1053344090 H 2.5673093631 3.4058843987 0.3411092067 H -2.0932394789 3.1654245685 -0.1399006705 H -0.6013385822 3.6535826543 -0.9617984737 H 1.1830087053 0.7060366525 -1.5168571157 H 2.5154527803 0.9012274410 2.5589656735 H -2.6278656823 0.7554837000 -3.7098342047 H -4.0606120338 1.3389928091 -2.8779009224 H -3.5685112655 -0.3477836285 -2.6983485563 H 4.0913895534 -2.0918335475 -0.0680850372 H -4.9090011991 0.4177198552 -0.0966906099 H -1.5224320515 -2.2015540446 -0.1102522922 H -6.3846193095 -1.4942326158 0.3898876690 H -2.9890694938 -4.1005956601 0.4087462802 H -5.4279506774 -3.7632631921 0.6572793162 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_herbicides/oxaziclomefone/gaussian/water/CONF2/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction oxaziclomefone CONF2 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_herbicides/oxaziclomefone/gaussian/water/CONF2/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 oxaziclomefone CONF2 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_herbicides/oxaziclomefone/gaussian/water/CONF2/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point oxaziclomefone CONF2 water 0 1