%chk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/esprocarb/water/CONF26/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization esprocarb CONF26 water 0 1 S -0.4658100710 2.1918076640 0.2845600627 O 0.3057513617 0.2029468217 1.8152629559 N 1.6748352446 0.6169466616 0.0483416831 C 2.4819015203 -0.5875122124 0.2982947709 C 2.1449808560 -1.6921879643 -0.7238218999 C 3.9653488303 -0.2464582390 0.3454965544 C 2.8175821438 -3.0056407477 -0.3341643087 C 0.6406226238 -1.9084859856 -0.8708647446 C 1.9571070481 1.3850584458 -1.1585522177 C 0.5948749403 0.8396832714 0.8140695304 C 2.6648404475 2.7038023752 -0.8981024756 C -2.0305796258 1.6499133892 1.0415320908 C -2.5338291329 0.3611627347 0.4615837755 C -2.9042938790 0.2877541142 -0.8805193874 C -2.6208942913 -0.7858084011 1.2441440870 C -3.3413390435 -0.9080865224 -1.4286507585 C -3.0572507394 -1.9861568075 0.6965666997 C -3.4128159307 -2.0526408350 -0.6424140401 H 2.1979145891 -0.9528280745 1.2846809096 H 2.5433706006 -1.3920323794 -1.6999978625 H 4.3586839162 0.0468302846 -0.6291700911 H 4.1586020261 0.5618651583 1.0503455411 H 4.5398808155 -1.1081327847 0.6813439906 H 3.9047761603 -2.9333859777 -0.3138764650 H 2.4858775102 -3.3401241406 0.6517102735 H 2.5623282691 -3.7889932623 -1.0491022390 H 0.1215595063 -1.0238568149 -1.2429164062 H 0.4453154093 -2.7123349920 -1.5820947950 H 0.1834075293 -2.1951542052 0.0785479958 H 2.5751410593 0.7666931281 -1.8073087469 H 1.0320360374 1.5526281717 -1.7129476909 H 3.6247655170 2.5493728452 -0.4063041820 H 2.8499570639 3.2133062853 -1.8439056440 H 2.0724575737 3.3738220527 -0.2740937102 H -2.7142428117 2.4718680604 0.8214875674 H -1.9256287126 1.5980010770 2.1236650994 H -2.8444605115 1.1726808767 -1.5031726332 H -2.3448776046 -0.7429994986 2.2901066892 H -3.6276921799 -0.9482150866 -2.4716601323 H -3.1118931098 -2.8705394110 1.3181038363 H -3.7490769920 -2.9874652297 -1.0717622938 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/esprocarb/water/CONF26/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction esprocarb CONF26 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/esprocarb/water/CONF26/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 esprocarb CONF26 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/esprocarb/water/CONF26/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point esprocarb CONF26 water 0 1