%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization dodemorph-cis CONF15 water 0 1 O -4.3087574835 -0.0532884185 0.3983639438 N -1.5826730569 -0.2391099009 -0.3461863931 C -0.2207565532 0.1992106825 -0.6526402956 C 0.8363797804 -0.7437374627 -0.0874901765 C 0.1192507372 1.6403589514 -0.2208672151 C -1.9783872192 -0.0338764643 1.0357155341 C -2.5717427223 0.3539417296 -1.2254456390 C -3.3606209319 -0.6149365014 1.2913593369 C -3.9481418158 -0.2333646463 -0.9611000865 C 0.9739508257 -2.1088857601 -0.7441733823 C 1.3248609486 2.2269891032 -0.9801344244 C 2.2027755593 -2.8890031379 -0.2636438287 C 2.4011484715 2.8489678103 -0.0872206536 C 3.5223923566 -2.1123378946 -0.3794072359 C 3.2234841838 1.8451893382 0.7235460978 C 3.9135511880 -1.3231125510 0.8774510297 C 4.2008339805 1.0331257869 -0.1258910259 C 4.8500978092 -0.1441722317 0.6053447333 C -3.8321103424 -0.3363192679 2.7021466591 C -5.0102490223 0.4179774490 -1.8195945942 H -0.1422050444 0.1603610590 -1.7462143222 H 0.7014960640 -0.8546345751 0.9938389922 H 1.7874419159 -0.2288764765 -0.2049737721 H 0.3164570747 1.6507873287 0.8565178341 H -0.7471465372 2.2902186832 -0.3671740838 H -1.9932737362 1.0321547255 1.3166095355 H -1.2705854199 -0.5299463614 1.7025217188 H -2.2973153567 0.1462651319 -2.2625639749 H -2.6327459803 1.4511008553 -1.1223852725 H -3.3136868715 -1.7027328702 1.1321754846 H -3.9118086819 -1.3101587246 -1.1852485955 H 1.0545874433 -1.9682448120 -1.8279067827 H 0.0800305473 -2.7157783032 -0.5817452220 H 0.9699794213 2.9896053307 -1.6772760493 H 1.7828946406 1.4595599175 -1.6122549588 H 2.2680082442 -3.8082909251 -0.8511486308 H 2.0572173099 -3.2103459342 0.7733722751 H 1.9246602803 3.5610139668 0.5935191688 H 3.0825383952 3.4398839842 -0.7079265246 H 3.4583211551 -1.4430214794 -1.2437330448 H 4.3360613390 -2.8040533291 -0.6123065878 H 2.5492857982 1.1822986019 1.2744065575 H 3.7922697854 2.3837029650 1.4876674585 H 4.3972023743 -2.0074907544 1.5803618270 H 3.0230241106 -0.9651410196 1.3984351242 H 4.9860226058 1.7070674065 -0.4818743026 H 3.7019648393 0.6692587238 -1.0290531663 H 5.2633471727 0.2130789993 1.5540849900 H 5.7059529254 -0.4990413264 0.0222222382 H -3.8920582967 0.7363152051 2.8954475083 H -4.8148220507 -0.7717767219 2.8862051171 H -3.1391899142 -0.7685172020 3.4239504357 H -5.0703447196 1.4915413637 -1.6322193425 H -4.7788450039 0.2743904189 -2.8749302638 H -5.9926230104 -0.0178090957 -1.6349764579 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction dodemorph-cis CONF15 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=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 dodemorph-cis CONF15 water 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point dodemorph-cis CONF15 water 0 1