<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div class="">Dear Kirk,</div><div class="">Thanks for your answers.</div><div class="">I send you the input. The molecule never converges.</div><div class="">I don’t know why so many problems if all is so simple.</div><div class="">Really on the internet not exist so many examples or cases with Actinides. And all is very general.</div><div class="">Regards</div><div class=""><br class=""></div><div class="">PS: I try whith and without gthresh, and the result was the same, no convergence.</div><div class=""><br class=""></div><div class=""><div class="">***,U(V)F6</div><div class="">memory,3000,m</div><div class="">!gthresh,energy=1d-7</div><div class="">gprint,basis,orbital!,civector</div><div class=""><br class=""></div><div class=""><br class=""></div><div class="">nosym</div><div class=""><br class=""></div><div class="">geometry={</div><div class="">7</div><div class="">UF6</div><div class="">U 0.000000000 0.000000000 0.000000000</div><div class="">F -1.679640000 -1.105471000 0.435905000</div><div class="">F 0.709086000 -1.619130000 -1.053034000</div><div class="">F -0.939396000 0.621913000 -1.721635000</div><div class="">F 1.679639000 1.105471000 -0.435905000</div><div class="">F -0.709087000 1.619131000 1.053034000</div><div class="">F 0.939395000 -0.621912000 1.721635000</div><div class="">}</div><div class=""><br class=""></div><div class="">basis={</div><div class="">default,aug-cc-pVDZ-DK,dkho=3 !aug-cc-pVDZ</div><div class="">!</div><div class="">! URANIUM (26s,23p,17d,13f,5g,3h) -> [12s,10p,9d,7f,5g,3h]</div><div class="">! URANIUM (26s,23p,17d,13f,5g,3h) -> [12s,10p,9d,7f,5g,3h]</div><div class="">s, U , 54451891.10000000, 13888721.40000000, 4408873.420000000, 1513672.400000000, 553624.0620000000, 211319.2440000000, 83690.7483000000, 34026.0317000000, 14084.0491000000, 5932.9989900000, 2559.3576800000, 1134.9182500000, 515.3053460000, 243.1742760000, 118.6884990000, 59.6159312000, 30.2863196000, 15.2365445000, 7.6844570400, 3.6410450600, 1.7032524100, 0.7325956700, 0.2872888000, 0.1149155200, 0.0459662000, 0.0183864800</div><div class="">c, 1.26, 0.00220712, 0.00216389, 0.00595756, 0.00907607, 0.01798328, 0.03028123, 0.05473004, 0.09429869, 0.16307628, 0.25493454, 0.31985104, 0.23476028, 0.05867659, 0.00047976, 0.00069094, -0.00043125, 0.00022266, -0.00012497, 0.00007405, -0.00003837, 0.00001878, -0.00000860, 0.00000419, -0.00000221, 0.00000102, -0.00000029</div><div class="">c, 1.26, -0.00091484, -0.00089940, -0.00247916, -0.00379728, -0.00756991, -0.01290570, -0.02373688, -0.04218079, -0.07652356, -0.13004291, -0.18297781, -0.12170567, 0.23704005, 0.58793649, 0.30762638, 0.02345740, 0.00213321, -0.00129489, 0.00056877, -0.00028415, 0.00015297, -0.00006871, 0.00003242, -0.00001731, 0.00000799, -0.00000228</div><div class="">c, 1.26, 0.00044665, 0.00043932, 0.00121125, 0.00185692, 0.00370589, 0.00633125, 0.01168197, 0.02086900, 0.03820360, 0.06591811, 0.09498420, 0.06043627, -0.19080921, -0.59118483, -0.29255942, 0.76382781, 0.59747508, 0.04723216, 0.00806865, -0.00416882, 0.00199713, -0.00095434, 0.00047481, -0.00025142, 0.00011637, -0.00003333</div><div class="">c, 1.26, -0.00023182, -0.00022805, -0.00062875, -0.00096423, -0.00192459, -0.00329049, -0.00607410, -0.01087171, -0.01992997, -0.03457316, -0.04998678, -0.03171403, 0.11304642, 0.36905735, 0.19834884, -0.85313355, -0.83761087, 0.86660758, 0.77771464, 0.03677785, 0.00845849, -0.00391948, 0.00189626, -0.00104308, 0.00049012, -0.00013901</div><div class="">c, 1.26, 0.00011469, 0.00011282, 0.00031108, 0.00047707, 0.00095234, 0.00162836, 0.00300676, 0.00538304, 0.00987561, 0.01714692, 0.02483820, 0.01569262, -0.05783556, -0.19240913, -0.10557995, 0.51985610, 0.55773522, -0.85140330, -1.15725011, 0.99268289, 0.77480572, -0.00269036, 0.01509524, -0.00807389, 0.00422234, -0.00105574</div><div class="">c, 1.26, -0.00005059, -0.00004976, -0.00013722, -0.00021042, -0.00042012, -0.00071817, -0.00132675, -0.00237393, -0.00436017, -0.00756082, -0.01098661, -0.00686879, 0.02557082, 0.08636292, 0.04636007, -0.23862375, -0.27156604, 0.45642529, 0.67119773, -0.82107905, -0.96584106, 0.94475383, 0.70758314, -0.04400079, 0.03528890, -0.00794235</div><div class="">c, 1.26, 0.00001615, 0.00001589, 0.00004380, 0.00006717, 0.00013410, 0.00022927, 0.00042348, 0.00075794, 0.00139157, 0.00241472, 0.00350504, 0.00219994, -0.00819405, -0.02757229, -0.01498208, 0.07714375, 0.08715073, -0.14854550, -0.22824508, 0.29745117, 0.36678991, -0.44850492, -0.61843120, 0.34517501, 0.85948935, 0.13433042</div><div class="">c, 1.26, -0.00003691, -0.00003632, -0.00010011, -0.00015360, -0.00030640, -0.00052456, -0.00096680, -0.00173636, -0.00317127, -0.00554938, -0.00793508, -0.00525004, 0.01940635, 0.06156822, 0.03874099, -0.18974269, -0.18051755, 0.32008395, 0.61970446, -0.98232581, -0.65115814, 1.88092731, -0.25572560, -1.69216539, 0.56761690, 0.70841902</div><div class="">c, 1.26, 0.00005733, 0.00005644, 0.00015544, 0.00023880, 0.00047540, 0.00081649, 0.00149724, 0.00271061, 0.00489041, 0.00872515, 0.01204429, 0.00895201, -0.03250247, -0.09004655, -0.07602682, 0.33835567, 0.20796705, -0.39754293, -1.26191978, 2.40509953, -0.12543976, -3.36627488, 4.34100181, -2.30836571, -0.45807495, 1.03545750</div><div class="">c, 1.26, -0.00007623, -0.00007518, -0.00020649, -0.00031852, -0.00063004, -0.00109330, -0.00197201, -0.00366308, -0.00635235, -0.01204898, -0.01482969, -0.01524303, 0.05296992, 0.09603073, 0.16657759, -0.62633306, 0.03794867, 0.06972485, 2.83134075, -6.72580446, 7.03796248, -3.63717122, -0.32783446, 3.15960581, -3.71473078, 1.85867436</div><div class="">c, 1.26, 0.00008530, 0.00008390, 0.00023142, 0.00035472, 0.00070880, 0.00121042, 0.00224052, 0.00399910, 0.00737947, 0.01272141, 0.01873379, 0.01110111, -0.04321140, -0.15419238, -0.07178578, 0.46517208, 0.51204573, -1.39498019, -1.13485648, 6.09828859, -9.03304562, 8.75632601, -7.80308511, 6.80133617, -4.73497555, 1.86754120</div><div class="">c, 1.26, -0.00020905, -0.00020381, -0.00057005, -0.00085589, -0.00176759, -0.00286336, -0.00576299, -0.00900589, -0.02026177, -0.02512112, -0.06302581, 0.02056739, -0.02053705, 0.75136479, -0.75185892, 0.69775039, -5.49181685, 14.59107452, -19.25883261, 16.65338949, -11.02584512, 5.98869977, -3.33688401, 2.04071955, -1.09430472, 0.36204213</div><div class="">p, U , 25140169.80000000, 5208152.200000000, 1294048.870000000, 361903.5840000000, 110991.5440000000, 36848.5188000000, 13185.4054000000, 5078.9862400000, 2096.8694000000, 919.2586120000, 423.1179860000, 202.3801710000, 98.0735543000, 49.5491281000, 24.9717401000, 12.4552362000, 6.1292128600, 2.8105569900, 1.2293441600, 0.5075173600, 0.2030069400, 0.0812027700, 0.0324811100</div><div class="">c, 1.23, 0.00004813, 0.00010796, 0.00030139, 0.00076763, 0.00202451, 0.00543449, 0.01493379, 0.04092895, 0.10608046, 0.23472762, 0.37397471, 0.32637560, 0.10301997, 0.00279883, 0.00150649, -0.00095180, 0.00045267, -0.00020896, 0.00010657, -0.00005157, 0.00002586, -0.00001209, 0.00000381</div><div class="">c, 1.23, -0.00002545, -0.00005716, -0.00015984, -0.00040817, -0.00108121, -0.00291961, -0.00810616, -0.02255624, -0.06012973, -0.13847662, -0.23071829, -0.14219874, 0.31371572, 0.58578562, 0.23358865, 0.01401560, 0.00132789, -0.00070083, 0.00025773, -0.00013023, 0.00006609, -0.00003101, 0.00000973</div><div class="">c, 1.23, 0.00001327, 0.00002980, 0.00008338, 0.00021307, 0.00056503, 0.00152796, 0.00425364, 0.01187920, 0.03190610, 0.07422421, 0.12530438, 0.06476859, -0.26679926, -0.51762506, 0.11023319, 0.76319724, 0.32016400, 0.01038341, 0.00235435, -0.00120630, 0.00059212, -0.00027656, 0.00008800</div><div class="">c, 1.23, -0.00000634, -0.00001425, -0.00003985, -0.00010193, -0.00027004, -0.00073193, -0.00203321, -0.00570567, -0.01527623, -0.03587714, -0.06010369, -0.03078135, 0.14679356, 0.27432716, -0.10683203, -0.68927026, -0.04511906, 0.88374783, 0.31474680, -0.00383958, 0.00634125, -0.00295588, 0.00091901</div><div class="">c, 1.23, 0.00000253, 0.00000568, 0.00001589, 0.00004064, 0.00010771, 0.00029179, 0.00081137, 0.00227477, 0.00610197, 0.01431120, 0.02406641, 0.01202743, -0.05971068, -0.11325161, 0.05142216, 0.30988551, -0.00162654, -0.61491714, -0.04831571, 0.78520161, 0.36883826, 0.00974361, 0.00393773</div><div class="">c, 1.23, -0.00000125, -0.00000281, -0.00000788, -0.00002013, -0.00005342, -0.00014444, -0.00040274, -0.00112507, -0.00303255, -0.00706850, -0.01200768, -0.00574460, 0.02922136, 0.05771272, -0.02906200, -0.15242472, -0.00518453, 0.36102230, -0.05204337, -0.58615302, -0.00466344, 0.76011913, 0.34466237</div><div class="">c, 1.23, 0.00000289, 0.00000649, 0.00001819, 0.00004633, 0.00012357, 0.00033153, 0.00093506, 0.00257210, 0.00707440, 0.01605771, 0.02844972, 0.01121013, -0.06285465, -0.14660862, 0.09756271, 0.31496209, 0.07997886, -1.15072284, 0.90634525, 0.86865431, -1.59594257, 0.27235757, 0.62808706</div><div class="">c, 1.23, -0.00000301, -0.00000674, -0.00001891, -0.00004814, -0.00012859, -0.00034428, -0.00097405, -0.00266884, -0.00737982, -0.01664638, -0.02979198, -0.01107467, 0.06525027, 0.15761475, -0.11732246, -0.33641747, -0.05115869, 1.45627463, -2.08285190, 0.98771214, 0.87816114, -2.09613696, 1.47820015</div><div class="">c, 1.23, 0.00000437, 0.00000986, 0.00002743, 0.00007080, 0.00018487, 0.00051284, 0.00137816, 0.00404978, 0.01022689, 0.02604088, 0.03836539, 0.02976724, -0.13375249, -0.15029261, 0.01683184, 0.88199331, -0.71607493, -1.27583058, 3.26910258, -3.97935188, 3.68442439, -2.66553378, 1.14931187</div><div class="">c, 1.23, -0.00000947, -0.00002160, -0.00005898, -0.00015707, -0.00038914, -0.00117016, -0.00279092, -0.00960132, -0.01966328, -0.06541653, -0.05870650, -0.12967227, 0.48699653, -0.05710918, 0.61204634, -3.79864401, 6.56290363, -6.32200976, 4.46406851, -2.74285254, 1.63415798, -0.87566770, 0.30608564</div><div class="">d, U , 14084.0491000000, 5932.9989900000, 2559.3576800000, 1134.9182500000, 515.3053460000, 243.1742760000, 118.6884990000, 59.6159312000, 30.2863196000, 15.2365445000, 7.6844570400, 3.6410450600, 1.7032524100, 0.7325956700, 0.2872888000, 0.1149155200, 0.0459662000</div><div class="">c, 1.17, 0.00033947, 0.00087232, 0.00421488, 0.01703309, 0.06291111, 0.17911310, 0.34934592, 0.38813387, 0.18763824, 0.02706789, 0.00084101, -0.00003822, 0.00002880, -0.00002099, 0.00000923, -0.00000508, 0.00000149</div><div class="">c, 1.17, -0.00019023, -0.00048982, -0.00237849, -0.00967795, -0.03624040, -0.10506406, -0.20316127, -0.17873879, 0.17180025, 0.52735191, 0.37662260, 0.06836521, -0.00152521, 0.00096100, -0.00046099, 0.00020151, -0.00007095</div><div class="">c, 1.17, 0.00008419, 0.00021318, 0.00105557, 0.00424535, 0.01611232, 0.04647235, 0.09073789, 0.07131230, -0.11169370, -0.31782646, -0.10989972, 0.47621528, 0.54344354, 0.14989230, 0.00134945, 0.00174976, -0.00080993</div><div class="">c, 1.17, -0.00002417, -0.00006071, -0.00030337, -0.00121267, -0.00462731, -0.01329670, -0.02609426, -0.01995191, 0.03337826, 0.09595347, 0.02471010, -0.17555510, -0.20058828, 0.18725811, 0.50952218, 0.42239716, 0.10979938</div><div class="">c, 1.17, 0.00004083, 0.00010152, 0.00051255, 0.00203445, 0.00780232, 0.02232463, 0.04412264, 0.03349256, -0.05563803, -0.16736694, -0.04116428, 0.33376318, 0.39430219, -0.87935533, -0.29430878, 0.61566420, 0.29871334</div><div class="">c, 1.17, -0.00003548, -0.00010949, -0.00043785, -0.00205958, -0.00694140, -0.02225591, -0.03858556, -0.04024276, 0.06983471, 0.12700314, 0.12290035, -0.54239041, -0.12141357, 1.20082443, -1.07660804, -0.14601533, 0.84245268</div><div class="">c, 1.17, 0.00003863, 0.00019397, 0.00045133, 0.00326543, 0.00816364, 0.03428952, 0.04278248, 0.08085696, -0.15634628, -0.06579834, -0.39434892, 1.43598054, -1.28617492, -0.09192192, 1.34134400, -1.79188183, 1.14710555</div><div class="">c, 1.17, -0.00006292, -0.00021281, -0.00076917, -0.00389601, -0.01245559, -0.04192641, -0.06978053, -0.08488816, 0.15359215, 0.26242278, 0.25967141, -2.08783457, 3.16695955, -2.80797646, 2.16650043, -1.54903688, 0.71728161</div><div class="">c, 1.17, 0.00029280, -0.00033985, 0.00401376, -0.00009514, 0.04698218, 0.01679458, 0.31473873, -0.23519250, 0.57080477, -2.88759649, 4.84616576, -4.38506153, 2.75509890, -1.39285945, 0.72061433, -0.38653799, 0.14447175</div><div class="">f, U , 919.2586120000, 423.1179860000, 202.3801710000, 98.0735543000, 49.5491281000, 24.9717401000, 12.4552362000, 6.1292128600, 2.8105569900, 1.2293441600, 0.5075173600, 0.2030069400, 0.0812027700</div><div class="">c, 1.13, 0.00097235, 0.00386712, 0.02099706, 0.07364151, 0.19237514, 0.34558643, 0.38110040, 0.22259696, 0.04779151, -0.00024132, 0.00084422, -0.00034235, 0.00012829</div><div class="">c, 1.13, -0.00029824, -0.00116669, -0.00645060, -0.02245382, -0.05918698, -0.09986172, -0.09087863, 0.05944036, 0.30881412, 0.43952706, 0.33897518, 0.14449536, 0.00955121</div><div class="">c, 1.13, 0.00025710, 0.00103459, 0.00559096, 0.01978025, 0.05138879, 0.08701092, 0.07233751, -0.06841763, -0.30813065, -0.30842150, 0.31127779, 0.51507720, 0.30190651</div><div class="">c, 1.13, -0.00028087, -0.00163669, -0.00657790, -0.02856186, -0.06218007, -0.12853200, -0.06378087, 0.04998179, 0.63234650, -0.10960497, -0.84172394, 0.40409435, 0.46743469</div><div class="">c, 1.13, 0.00017144, 0.00166968, 0.00463048, 0.02653081, 0.04587933, 0.12327356, 0.02097043, 0.00444742, -0.85806468, 1.15213724, -0.26896641, -0.80926157, 0.93444010</div><div class="">c, 1.13, -0.00060108, -0.00078016, -0.01152696, -0.02325099, -0.09999081, -0.09004961, -0.18955168, 0.44907446, 0.45176433, -1.44987980, 1.76982701, -1.57283934, 0.87571358</div><div class="">c, 1.13, 0.00194136, -0.00098001, 0.03411839, 0.02695220, 0.27586962, 0.03868733, 0.62954427, -2.19144007, 2.43152715, -1.68511594, 1.02454931, -0.61813959, 0.27578596</div><div class="">g, U , 3.6410450600, 1.7032524100, 0.7325956700, 0.2872888000, 0.1149155200</div><div class="">c, 1.5, 0.10060766, 0.26848794, 0.59081645, 0.27489743, 0.05856810</div><div class="">c, 1.5, -0.13070290, -0.51609772, -0.10454082, 0.66690153, 0.27949754</div><div class="">c, 1.5, 0.42421429, 0.56182889, -0.97361898, 0.27608881, 0.45571684</div><div class="">c, 1.5, -0.78334372, 0.56698267, 0.28548385, -0.96908071, 0.98131659</div><div class="">c, 1.5, 1.20431475, -1.73369719, 1.43856604, -1.09413454, 0.64980257</div><div class="">h, U , 0.8791148000, 0.3351702700, 0.1340680800</div><div class="">c, 1.3, 0.88366614, 0.18725231, 0.06127511</div><div class="">c, 1.3, -0.70601921, 1.01899407, 0.14543540</div><div class="">c, 1.3, 0.30903755, -0.88951198, 1.18913311</div><div class="">}</div><div class=""><br class=""></div><div class="">{hf;</div><div class="">save,2100.2;</div><div class="">ORBITAL,DM=1</div><div class="">orbprint,20</div><div class="">}</div></div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">On Aug 16, 2017, at 19:04, Peterson, Kirk <<a href="mailto:kipeters@wsu.edu" class="">kipeters@wsu.edu</a>> wrote:</div><br class="Apple-interchange-newline"><div class="">
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Dear Eduardo,
<div class=""><br class="">
</div>
<div class="">to use the ANO-RCC set downloaded in molpro format from the BSE, you just need to insert that text into the basis set block (replacing the U=cc-pVDZ-PP part below). You should also then use aug-cc-pVDZ-DK for F and set the DKH2 Hamiltonian by
adding dkho=2 on its own line before your hf call. Alternatively, you could set U=cc-pVDZ-DK3 (and aug-cc-pVDZ-DK) and set dkho=3.</div>
<div class=""><br class="">
</div>
<div class="">To the see the 5f orbitals (which are more or less unoccupied in the occupied orbitals of UF6), ask molpro to print some virtual orbitals by including “orbprint,9” in your hf and uhf lines (separated by a semicolon or newline).</div>
<div class=""><br class="">
</div>
<div class="">{hf</div>
<div class="">save,2100.2</div>
<div class="">orbprint,9</div>
<div class="">}</div>
<div class=""><br class="">
</div>
<div class="">I would also suggest to save orbital records to file 2 (as I’ve written) rather than file 1 so that if you want you can make file 2 permanent for restarts. File 1 will be too large to do convenient restarts since it also contains all the 2-electron
integrals.</div>
<div class=""><br class="">
</div>
<div class="">regards,</div>
<div class=""><br class="">
</div>
<div class="">-Kirk</div>
<div class=""><br class="">
<div class="">
<blockquote type="cite" class="">
<div class="">On Aug 16, 2017, at 9:33 AM, Eduardo Solis Céspedes <<a href="mailto:esolisrq@gmail.com" class="">esolisrq@gmail.com</a>> wrote:</div>
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<div class="">
<div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">
<div dir="auto" style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">
<div dir="auto" style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">
<div dir="auto" style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">
<div dir="auto" style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">
<div dir="auto" style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">
<div dir="auto" style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">
<div class="">
<div class="">
<div class="">I downloaded the basis.set ANO-RCC from <a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__bse.pnl.gov_bse_portal&d=DwMFaQ&c=C3yme8gMkxg_ihJNXS06ZyWk4EJm8LdrrvxQb-Je7sw&r=mqaXWsZ0ghQR-pXvPLjY_g&m=Ik5euav19i0tbAHWbYQVN8rxOJxF9ud6sBP3nGkbLoQ&s=IczPf0A4G2V62QdOHQXOm1FfpyCx2fRe-g82kT1RBbE&e=" class="">
https://bse.pnl.gov/bse/portal</a> to use with the Uranium.</div>
<div class="">But I don’t know how I can load to use.</div>
<div class="">The ECP basis no show me the 5f orbitals in the output. I need the 5f orbitals to know if I need to rotate for the casscf calculation.</div>
<div class="">How identify de orbitals to put in the active space?</div>
<div class="">This is the code that I running.</div>
</div>
</div>
<div class=""><br class="">
</div>
<div class="">
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">***,U(V)F6</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">memory,3000,m</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class=""><br class="">
</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">gprint,basis,orbital!,civector</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098); min-height: 19px;" class="">
<span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class="">
</div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">nosym</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098); min-height: 19px;" class="">
<span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class="">
</div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">geometry={</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">7</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">UF6</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">U 0.000000000 0.000000000 0.000000000</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">F -1.679640000 -1.105471000 0.435905000</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">F 0.709086000 -1.619130000 -1.053034000</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">F -0.939396000 0.621913000 -1.721635000</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">F 1.679639000 1.105471000 -0.435905000</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">F -0.709087000 1.619131000 1.053034000</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">F 0.939395000 -0.621912000 1.721635000</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">}</span></div>
</div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">basis={</span></div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">default,aug-cc-pVDZ</span></div>
<div style="margin: 0px; line-height: normal;" class="">U=cc-pVDZ-PP</div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">!ECP,U,ECP60MDF</span></div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">!s,U,ECP60MDF</span></div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">!p,U,ECP60MDF</span></div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">!d,U,ECP60MDF</span></div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">!f,U,ECP60MDF</span></div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">!g,U,ECP60MDF</span></div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">}</span></div>
<div style="margin: 0px; line-height: normal; min-height: 19px;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class="">
</div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">{hf;</span></div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">save,2100.1;</span></div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">ORBITAL,DM=1</span></div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">}</span></div>
<div style="margin: 0px; line-height: normal; min-height: 19px;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class="">
</div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">{uhf;</span></div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">save,2100.2;</span></div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">}</span></div>
</span></div>
<div class=""><br class="">
</div>
<br class="">
<div class="">
<blockquote type="cite" class="">
<div class="">On Aug 14, 2017, at 16:56, Peterson, Kirk <<a href="mailto:kipeters@wsu.edu" class="">kipeters@wsu.edu</a>> wrote:</div>
<br class="Apple-interchange-newline">
<div class="">
<div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">
You’re already using a 60-electron ECP - you don’t have 60 orbitals (120 electrons!) to close. Check the defaults towards the end of the integral output (I think it should be just 15 orbitals - 9 from U and a total of 6 from the Fs).
<div class=""><br class="">
</div>
<div class="">regards,</div>
<div class=""><br class="">
</div>
<div class="">-Kirk</div>
<div class=""><br class="">
<div class="">
<blockquote type="cite" class="">
<div class="">On Aug 14, 2017, at 3:39 AM, Eduardo Solis Céspedes <<a href="mailto:esolisrq@gmail.com" class="">esolisrq@gmail.com</a>> wrote:</div>
<br class="Apple-interchange-newline">
<div class="">
<div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">
<div class="">Hello:</div>
<div class="">
<div class="">I try to run after the SCF a CASCF. I select a core of 60 orbitals and a valence space of 14 orbitals.</div>
<div class="">How I no want symmetry I select only the space like the input and the symmetry in 1:</div>
</div>
<div class="">
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">***,U(V)F6</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">memory,3000,m</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">gthresh,energy=1d-7</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">gprint,basis,orbital,civector</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">ang</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098); min-height: 19px;" class="">
<span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class="">
</div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">nosym</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098); min-height: 19px;" class="">
<span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class="">
</div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">file,1,mrci_uf6_ion_full.int</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">file,2,mrci_uf6_ion_full.wfu,new</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098); min-height: 19px;" class="">
<span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class="">
</div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">geometry={</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">7</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">UF6</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">U 0.000000000 0.000000000 0.000000000</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">F -1.679640000 -1.105471000 0.435905000</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">F 0.709086000 -1.619130000 -1.053034000</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">F -0.939396000 0.621913000 -1.721635000</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">F 1.679639000 1.105471000 -0.435905000</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">F -0.709087000 1.619131000 1.053034000</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">F 0.939395000 -0.621912000 1.721635000</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">}</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098); min-height: 19px;" class="">
<span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class="">
</div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">basis={</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">default,aug-cc-pVDZ</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">U=cc-pVDZ-PP</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098);" class="">
<span style="font-variant-ligatures: no-common-ligatures" class="">}</span></div>
<div style="margin: 0px; font-size: 14px; line-height: normal; font-family: Monaco; color: rgb(244, 244, 244); background-color: rgba(0, 0, 0, 0.85098); min-height: 19px;" class="">
<span style="font-variant-ligatures: no-common-ligatures" class=""></span>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">{hf;</span></div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">save,2100.1;</span></div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">}</span></div>
<div style="margin: 0px; line-height: normal; min-height: 19px;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class="">
</div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">set,charge=-1;</span></div>
<div style="margin: 0px; line-height: normal; min-height: 19px;" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""></span><br class="">
</div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">{casscf;</span></div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">closed,60;</span></div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">occ,15;</span></div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">wf,147,1,1;</span></div>
<div style="margin: 0px; line-height: normal;" class=""><span style="font-variant-ligatures: no-common-ligatures" class="">}</span></div>
</div>
</div>
<div class=""><br class="">
</div>
<div class="">
<div class="">But the run stop in the CASSCF because “To many core or closed-shell orbitals in symmetry 1”</div>
<div class="">I do not understand why that happens.</div>
</div>
<div class="">Regards</div>
<div class=""><br class="">
</div>
<div class=""><br class="">
</div>
<br class="">
<div class="">
<blockquote type="cite" class="">
<div class="">On Aug 11, 2017, at 18:50, Peterson, Kirk <<a href="mailto:kipeters@wsu.edu" class="">kipeters@wsu.edu</a>> wrote:</div>
<br class="Apple-interchange-newline">
<div class="">
<div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">
I think it looks fine except I would strongly recommend using aug-cc-pVDZ for F rather than 6-31G*.
<div class=""><br class="">
</div>
<div class="">best,</div>
<div class=""><br class="">
</div>
<div class="">-Kirk</div>
<div class=""><br class="">
<div class="">
<blockquote type="cite" class="">
<div class="">On Aug 11, 2017, at 9:46 AM, Eduardo Solis Céspedes <<a href="mailto:esolisrq@gmail.com" class="">esolisrq@gmail.com</a>> wrote:</div>
<br class="Apple-interchange-newline">
<div class="">
<div class="">
<div class="" style="word-wrap:break-word">
<div class="">
<div class="">Yes, yes, this was a simple test for show you.</div>
<div class="">Sorry.</div>
<div class="">The real input is that I attach., following your instructions.</div>
<div class="">And the output too….</div>
<div class="">In your opinion it's fine? It's ready to complicate more in the direction to calculate de [UF6]-? At least to not crash for simple things like the definition of the basis set.</div>
<div class="">I really grateful your enormous help.</div>
<div class="">Best Regards,</div>
<div class="">Ed</div>
</div>
<div class=""><br class="">
</div>
<div class=""></div>
</div>
<div style="word-wrap:break-word" class="">
<div class=""></div>
</div>
<div class="" style="word-wrap:break-word">
<div class=""></div>
<div class=""><br class="">
</div>
<div class=""><br class="">
</div>
<br class="">
<div class="">
<blockquote type="cite" class="">
<div class="">On Aug 11, 2017, at 18:26, Peterson, Kirk <<a href="mailto:kipeters@wsu.edu" class="">kipeters@wsu.edu</a>> wrote:</div>
<br class="x_Apple-interchange-newline">
<div class="">
<div class="" style="word-wrap:break-word">
<div class="">Eduardo,</div>
<div class=""><br class="">
</div>
I don’t understand your geometry block - where are your F atoms for UF6? The bare U atom is actually challenging.
<div class=""><br class="">
</div>
<div class="">If you want to use a PP, of course I would recommend cc-pVDZ-PP, etc. (they utilize the ECP60MDF PP).</div>
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<div class="">You definitely do not need 67 GB of RAM for this calculation.<br class="">
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<div class="">best,</div>
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<div class="">-Kirk</div>
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<blockquote type="cite" class="">
<div class="">On Aug 11, 2017, at 8:45 AM, Eduardo Solis Céspedes <<a href="mailto:esolisrq@gmail.com" class="">esolisrq@gmail.com</a>> wrote:</div>
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<div dir="ltr" class="">Thanks for the answer!<br class="">
I try now your suggestion.<br class="">
Can you suggest any basis set that works fine? <br class="">
I try many and all failed at some point (ECP60MDF, cc-pVQZ-PP, cc-pwCVTZ-PP, def2-TZVPP).<br class="">
My initial test is very simple:
<div class="x_gmail_default" style="font-family:arial,helvetica,sans-serif">***,U(V)F6 free ion</div>
<div class="x_gmail_default" style="font-family:arial,helvetica,sans-serif">memory,9000,m<br class="">
gthresh,energy=1d-7<br class="">
gprint,basis,orbital,civector<br class="">
ang<br class="">
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nosym<br class="">
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geometry={<br class="">
U 1.16416 4.99619 13.17970<br class="">
}<br class="">
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basis={<br class="">
ECP,U,ECP60MDF !cc-pVQZ-PP !cc-pwCVTZ-PP !cc-pwCVTZ-PP !def2-TZVPP<br class="">
s,U,ECP60MDF<br class="">
p,U,ECP60MDF<br class="">
d,U,ECP60MDF<br class="">
f,U,ECP60MDF<br class="">
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<div class="x_gmail_default" style="font-family:arial,helvetica,sans-serif">Best Regards,</div>
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<div class="x_gmail_quote">On Fri, Aug 11, 2017 at 5:36 PM, Peterson, Kirk <span dir="ltr" class="">
<<a href="mailto:kipeters@wsu.edu" target="_blank" class="">kipeters@wsu.edu</a>></span> wrote:<br class="">
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<div class="" style="">Dear Eduardo,
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<div class="">some details are required in order to help (input file?). Certainly in regards to the SCF, I would start with neutral UF6 since it is relatively simple and closed-shell. Then add your extra electron taking your initial guess from the orbitals
of the neutral. Inspect the orbitals carefully to make sure the initial guess and subsequent scf converged to a reasonable solution, i.e., no 5f or 6d orbitals occupied for the neutral molecule.</div>
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<div class="">best,</div>
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<div class="">-Kirk</div>
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<div class="">On Aug 10, 2017, at 10:12 AM, Eduardo Solis Céspedes <<a href="mailto:esolisrq@gmail.com" target="_blank" class="">esolisrq@gmail.com</a>> wrote:</div>
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<div class="" style="font-family:arial,helvetica,sans-serif">
<div class="">I'm new in molpro.</div>
<div class="">All the test that I try fail with my molecule.</div>
<div class="">I'm try with [UF6]- (uranium V) an scf, casscf, caspt2, mrci and nothing is working for me.</div>
<div class="">Any suggestions or help, please?</div>
<div class="">Best Regards to all</div>
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<div class="">-----------------------------------------------------------------<br class="">
Eduardo Solis Céspedes<br class="">
PhD (C) Fisicoquímica Molecular<br class="">
Universidad Andrés Bello<br class="">
Ave. República 275<br class="">
Santiago, CHILE<br class="">
Zip Code: 8370146<br class="">
Linux HPC System Administrator, Remophys Group<br class="">
<a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.remophys.cl&d=DwMFaQ&c=C3yme8gMkxg_ihJNXS06ZyWk4EJm8LdrrvxQb-Je7sw&r=mqaXWsZ0ghQR-pXvPLjY_g&m=eaE4Hsk9z3jo9G99qWOF3cOfcncitqDLZaXfQFpke_U&s=egTKmz29AoE64ZtMcJGcA-1xpDqzkiRqmCAFCMPWWKg&e=" target="_blank" class="">www.remophys.cl</a></div>
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<div class=""><span class="" style="font-family:Helvetica; font-size:12px">#################################</span>
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