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| S 1 1.00 | |
| 1.0885825682E-02 1.0000000 | |
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| 80.408554854 0.90987976672E-01 | |
| 29.768193269 0.25559900413 | |
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| 17.796803704 -0.27878639615E-01 | |
| 2.4272698680 0.55672914668 | |
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| P 1 1.00 | |
| 3.3853666667E-02 1.0000000 | |
| D 4 1.00 | |
| 37.713384723 0.11513835092E-01 | |
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| 3.6728446990 0.21484207775 | |
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| D 1 1.00 | |
| 0.49213295253 1.0000000 | |
| D 1 1.00 | |
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| D 1 1.00 | |
| 0.0540000 1.0000000 | |
| F 1 1.00 | |
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| -Fe 0 | |
| S 8 1.00 | |
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| 10262.5163170 0.91927083490E-02 | |
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| 946.11487137 0.12151108426 | |
| 339.87832894 0.28818881468 | |
| 131.94425588 0.41126612677 | |
| 52.111494077 0.21518583573 | |
| S 4 1.00 | |
| 329.48839267 -0.24745216477E-01 | |
| 101.92332739 -0.11683089050 | |
| 16.240462745 0.55293621136 | |
| 6.8840675801 0.53601640182 | |
| S 2 1.00 | |
| 10.470693782 -0.22912708577 | |
| 1.7360039648 0.71159319984 | |
| S 1 1.00 | |
| 0.72577288979 1.0000000 | |
| S 1 1.00 | |
| 0.11595528203 1.0000000 | |
| S 1 1.00 | |
| 0.41968227746E-01 1.0000000 | |
| S 1 1.00 | |
| 0.139894092487E-01 1.0000000 | |
| P 6 1.00 | |
| 1585.3959970 0.23793960179E-02 | |
| 375.38006499 0.19253154755E-01 | |
| 120.31816501 0.90021836536E-01 | |
| 44.788749031 0.25798172356 | |
| 17.829278584 0.41492649744 | |
| 7.2247153786 0.24207474784 | |
| P 3 1.00 | |
| 28.143219756 -0.29041755152E-01 | |
| 3.8743241412 0.55312260343 | |
| 1.5410752281 0.96771136842 | |
| P 1 1.00 | |
| 0.58285615250 1.0000000 | |
| P 1 1.00 | |
| 0.1349150 1.0000000 | |
| P 1 1.00 | |
| 0.4497166667E-01 1.0000000 | |
| D 4 1.00 | |
| 61.996675034 0.11971972255E-01 | |
| 17.873732552 0.73210135410E-01 | |
| 6.2744782934 0.23103094314 | |
| 2.3552337175 0.39910706494 | |
| D 1 1.00 | |
| 0.85432239901 1.0000000 | |
| D 1 1.00 | |
| 0.27869254413 1.0000000 | |
| D 1 1.00 | |
| 0.0910000 1.0000000 | |
| F 1 1.00 | |
| 1.5980000 1.0000000 | |
| **** | |
| -Sb 0 | |
| S 4 1.00 | |
| 1612.4199933 0.28540380783E-03 | |
| 238.84452097 0.13393778746E-02 | |
| 23.998118809 -0.49388154574E-01 | |
| 15.193124213 0.43392227254 | |
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| 11.736409733 0.92125519965 | |
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| S 1 1.00 | |
| 2.0247451872 1.0000000 | |
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| 0.24254333998 1.0000000 | |
| S 1 1.00 | |
| 0.92206608177E-01 1.0000000 | |
| S 1 1.00 | |
| 3.0735536059E-02 1.0000000 | |
| P 3 1.00 | |
| 215.68393354 0.26051823221E-03 | |
| 16.374479088 0.73728000195E-01 | |
| 9.7216283345 -0.27230028128 | |
| P 3 1.00 | |
| 2.7982643154 0.46472692374 | |
| 1.4711045033 0.50364242075 | |
| 0.75165385301 0.18706666294 | |
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| 0.33168699849 1.0000000 | |
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| 0.56399307526E-01 1.0000000 | |
| P 1 1.00 | |
| 1.8799769175E-02 1.0000000 | |
| D 6 1.00 | |
| 115.90312253 0.53140915051E-03 | |
| 30.474233720 0.59411139166E-02 | |
| 18.228418239 -0.10563706947E-01 | |
| 4.3291456646 0.20348177341 | |
| 2.1294818496 0.42748378928 | |
| 0.99682636692 0.38539560809 | |
| D 1 1.00 | |
| 0.43347239863 1.0000000 | |
| D 1 1.00 | |
| 0.14000000000 1.0000000 | |
| F 1 1.00 | |
| 0.32369706 1.0000000 | |
| F 1 1.00 | |
| 1.1000000 1.0000000 | |
| **** | |
| -Bi 0 | |
| S 4 1.00 | |
| 716.41435310 0.31254307133E-03 | |
| 83.806059047 0.17624768946E-02 | |
| 21.116962853 -0.21910983437 | |
| 15.491448187 0.40411224931 | |
| S 2 1.00 | |
| 23.239855029 -0.68255758685E-01 | |
| 6.6474255000 0.97888046471 | |
| S 1 1.00 | |
| 1.7617744005 1.0000000 | |
| S 1 1.00 | |
| 0.87252866000 1.0000000 | |
| S 1 1.00 | |
| 0.25618895997 1.0000000 | |
| S 1 1.00 | |
| 0.97073913006E-01 1.0000000 | |
| S 1 1.00 | |
| 3.2357971002E-02 1.0000000 | |
| P 3 1.00 | |
| 15.249644669 0.74560356000 | |
| 14.846176053 -0.85578637338 | |
| 7.0636826784 0.40149159592 | |
| P 3 1.00 | |
| 2.5881255616 0.35542729633 | |
| 1.5020208499 0.63976991890 | |
| 0.76732724388 0.32332773839 | |
| P 1 1.00 | |
| 0.32797648982 1.0000000 | |
| P 1 1.00 | |
| 0.13820335991 1.0000000 | |
| P 1 1.00 | |
| 0.55137330969E-01 1.0000000 | |
| P 1 1.00 | |
| 1.8379110323E-02 1.0000000 | |
| D 6 1.00 | |
| 66.404481948 0.38102878348E-03 | |
| 13.858426961 0.10746152442E-01 | |
| 7.0654519000 -0.71947646845E-01 | |
| 2.5252144035 0.26195974989 | |
| 1.3419585000 0.42594750000 | |
| 0.68340941000 0.33680325627 | |
| D 1 1.00 | |
| 0.32934755420 1.0000000 | |
| D 1 1.00 | |
| 0.14000000000 1.0000000 | |
| F 1 1.00 | |
| 0.3127100 1.0000000 | |
| F 1 1.00 | |
| 1.0500000 1.0000000 | |
| **** | |
| -Cs 0 | |
| S 3 1.00 | |
| 5.8778113443 0.12859994983 | |
| 4.3631538286 -0.34632569725 | |
| 1.8048475155 0.69930637051 | |
| S 1 1.00 | |
| 0.37485237136 1.0000000 | |
| S 1 1.00 | |
| 0.16384858778 1.0000000 | |
| S 1 1.00 | |
| 0.27230462048E-01 1.0000000 | |
| S 1 1.00 | |
| 0.11991533212E-01 1.0000000 | |
| S 1 1.00 | |
| 3.9971777373E-03 1.0000000 | |
| P 4 1.00 | |
| 4.2751856154 0.45723074174E-01 | |
| 1.9656663360 -0.25019961976 | |
| 0.47689195212 0.55660850066 | |
| 0.21529749588 0.58218553406 | |
| P 1 1.00 | |
| 0.91450850296E-01 1.0000000 | |
| P 1 1.00 | |
| 0.17592078473E-01 1.0000000 | |
| P 1 1.00 | |
| 5.8640261577E-03 1.0000000 | |
| D 1 1.00 | |
| 0.27941471548 1.0000000 | |
| D 1 1.00 | |
| 0.62419809739E-01 1.0000000 | |
| D 1 1.00 | |
| 0.15987870156E-01 1.0000000 | |
| **** | |
| -SB 0 | |
| SB-ECP 3 28 | |
| f-ul potential | |
| 2 | |
| 2 14.44497800 -15.36680100 | |
| 2 14.44929500 -20.29613800 | |
| s-ul potential | |
| 4 | |
| 2 16.33086500 281.07158100 | |
| 2 8.55654200 61.71660400 | |
| 2 14.44497800 15.36680100 | |
| 2 14.44929500 20.29613800 | |
| p-ul potential | |
| 6 | |
| 2 14.47033700 67.45738000 | |
| 2 13.81619400 134.93350300 | |
| 2 8.42492400 14.71634400 | |
| 2 8.09272800 29.51851200 | |
| 2 14.44497800 15.36680100 | |
| 2 14.44929500 20.29613800 | |
| d-ul potential | |
| 6 | |
| 2 14.88633100 35.44781500 | |
| 2 15.14631900 53.14346600 | |
| 2 5.90826700 9.17922300 | |
| 2 5.59432200 13.24025300 | |
| 2 14.44497800 15.36680100 | |
| 2 14.44929500 20.29613800 | |
| -BI 0 | |
| BI-ECP 3 60 | |
| f-ul potential | |
| 2 | |
| 2 4.21454600 13.71338300 | |
| 2 4.13340000 18.19430800 | |
| s-ul potential | |
| 4 | |
| 2 13.04309000 283.26422700 | |
| 2 8.22168200 62.47195900 | |
| 2 4.21454600 -13.71338300 | |
| 2 4.13340000 -18.19430800 | |
| p-ul potential | |
| 6 | |
| 2 10.46777700 72.00149900 | |
| 2 9.11890100 144.00227700 | |
| 2 6.75479100 5.00794500 | |
| 2 6.25259200 9.99155000 | |
| 2 4.21454600 -13.71338300 | |
| 2 4.13340000 -18.19430800 | |
| d-ul potential | |
| 6 | |
| 2 8.08147400 36.39625900 | |
| 2 7.89059500 54.59766400 | |
| 2 4.95555600 9.98429400 | |
| 2 4.70455900 14.98148500 | |
| 2 4.21454600 -13.71338300 | |
| 2 4.13340000 -18.19430800 | |
| -CS 0 | |
| CS-ECP 3 46 | |
| f-ul potential | |
| 1 | |
| 2 3.1232690 -28.8843090 | |
| s-ul potential | |
| 3 | |
| 2 4.0797500 84.5477300 | |
| 2 2.4174060 16.6541730 | |
| 2 3.1232690 28.8843090 | |
| p-ul potential | |
| 3 | |
| 2 5.5140800 157.0490590 | |
| 2 2.1603160 26.4233070 | |
| 2 3.1232690 28.8843090 | |
| d-ul potential | |
| 3 | |
| 2 1.8074100 13.1727530 | |
| 2 0.8581820 3.3428330 | |
| 2 3.1232690 28.8843090 |
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