%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/isofetamid/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization isofetamid CONF8 water 0 1 S 0.2374564997 -3.0670886952 -0.7552766569 O -3.3978748219 2.0905376095 0.1636391197 O 2.9679535269 1.9769822891 -0.1592442464 O -1.7628772916 -0.7416195151 1.6921810291 N -2.1259377374 -1.1625562364 -0.4905482348 C -3.1555906609 -0.1416154492 -0.6340995518 C -2.6131967926 1.2404270874 -0.1995192523 C -3.5438093565 -0.0663260903 -2.1150012125 C -4.4115334916 -0.4916382495 0.1648016538 C -1.1495686010 1.5026558088 -0.2403752411 C -0.5065475101 2.1320532641 0.8422810193 C -0.3782167750 1.0754621214 -1.3178227917 C -1.4047072173 -1.2751729967 0.6493745225 C 0.8736306410 2.2597992097 0.8106431355 C 1.6373948549 1.8052810232 -0.2642076321 C 0.9950717413 1.2289370475 -1.3550854685 C -1.2339585053 2.6219481859 2.0598296541 C -0.1526930946 -2.0418250095 0.5803579479 C 3.8547016092 1.3080363613 -1.0688283841 C 0.8775398761 -1.9889685101 1.4914204287 C 3.8972753203 -0.1816047506 -0.7798648939 C 5.2082832485 1.9622584619 -0.8928356071 C 1.9740399759 -2.7941326454 1.0791656491 C 0.9177401516 -1.1796136400 2.7470297208 C 1.7697257850 -3.4281693254 -0.1065478947 H -4.2883621034 0.7126960342 -2.2693255694 H -3.9822389190 -1.0138663555 -2.4303838621 H -2.7015233380 0.1446491131 -2.7730058898 H -5.2147020941 0.2117586847 -0.0477521780 H -4.7565411989 -1.4822772882 -0.1313104944 H -4.2394242872 -0.4967411184 1.2382451825 H -1.7131236570 -1.4853123793 -1.3522533645 H -0.8430186333 0.6184637664 -2.1798918986 H 1.3839818402 2.7084243429 1.6549755869 H 1.5331069557 0.8780588610 -2.2236854826 H -0.5258867047 2.8574518427 2.8530766018 H -1.8054070202 3.5265925359 1.8531162767 H -1.9292638300 1.8791674747 2.4479189941 H 3.5196462335 1.4802444948 -2.0965851274 H 2.9210400084 -0.6587684170 -0.8706392756 H 4.5672652157 -0.6736531774 -1.4854315866 H 4.2710407957 -0.3716731085 0.2276765032 H 5.1661573963 3.0305533118 -1.1065734775 H 5.9241362977 1.5154909971 -1.5821819441 H 5.5891270372 1.8252470092 0.1205486965 H 2.8867894809 -2.8876551459 1.6505260693 H 0.1849544961 -1.5215141563 3.4767367596 H 1.9027668307 -1.2516970953 3.2057081058 H 0.7133056167 -0.1271438355 2.5511232178 H 2.4383499598 -4.0980440173 -0.6253089365 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/isofetamid/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction isofetamid CONF8 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/isofetamid/water/CONF8/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 isofetamid CONF8 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/isofetamid/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point isofetamid CONF8 water 0 1