mirror of
https://github.com/triqs/dft_tools
synced 2024-08-17 17:51:44 +02:00
![Alexander Hampel](/assets/img/avatar_default.png)
* moved the plovasp C++ code to c++/triqs_dft_tools/converters/vasp * added global header triqs_dft_tools/triqs_dft_tools.hpp * python dir based on single cmakelist file * registered C++ tests for plovasp * corrected imports for py3 tests for plovasp * corrected block order in sigma_from_file and srvo3_Gloc * exchanged ref files for sigma_from_file, srvo3_Gloc, SrVO3.ref.h5 * moved vasp converter bash scripts from dir shells to bin dir
3085 lines
136 KiB
Plaintext
3085 lines
136 KiB
Plaintext
1 8 32 10 6.8338870 # of spin, # of k-points, # of bands, # of proj
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ISITE: 1 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dxy
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ISITE: 1 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dyz
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ISITE: 1 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dz2
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ISITE: 1 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dxz
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ISITE: 1 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dx2-y2
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ISITE: 2 R= -0.5000000 -0.5000000 -0.5000000 Hydrogen-like : dxy
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ISITE: 2 R= -0.5000000 -0.5000000 -0.5000000 Hydrogen-like : dyz
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ISITE: 2 R= -0.5000000 -0.5000000 -0.5000000 Hydrogen-like : dz2
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ISITE: 2 R= -0.5000000 -0.5000000 -0.5000000 Hydrogen-like : dxz
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ISITE: 2 R= -0.5000000 -0.5000000 -0.5000000 Hydrogen-like : dx2-y2
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orbital 1 1 1 -31.7733783584 1.0000000000
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1 -0.0000003631 0.0000002185
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2 -0.0000000623 0.0000000728
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3 0.0000005753 -0.0000003756
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4 0.0000001860 -0.0000000992
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5 0.0000000926 -0.0000000680
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6 0.0000002938 -0.0000002548
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7 0.0000001182 -0.0000000309
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8 -0.0000005835 0.0000003934
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9 -0.0000001210 0.0000001421
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10 -0.0000001815 0.0000001114
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orbital 1 1 2 -31.7727040807 1.0000000000
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1 -0.0000000444 -0.0000000841
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2 -0.0000000286 -0.0000001114
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3 -0.0000002599 -0.0000005481
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4 -0.0000000991 -0.0000002273
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5 -0.0000003030 -0.0000006368
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6 -0.0000000051 0.0000000718
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7 0.0000000826 0.0000001374
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8 0.0000002436 0.0000004979
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9 0.0000001556 0.0000002769
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10 0.0000002994 0.0000006295
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orbital 1 1 3 -31.7694298015 1.0000000000
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1 0.0000000598 0.0000000885
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2 0.0000001169 0.0000001086
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3 -0.0000002631 -0.0000003528
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4 0.0000001787 0.0000002566
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5 0.0000001349 0.0000001734
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6 -0.0000000836 -0.0000000841
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7 -0.0000000936 -0.0000001120
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8 0.0000002745 0.0000003687
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9 -0.0000001376 -0.0000002271
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10 -0.0000001109 -0.0000001499
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orbital 1 1 4 -31.1438955554 1.0000000000
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1 0.0000003427 -0.0000003720
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2 0.0000000813 -0.0000001236
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3 -0.0000001130 0.0000001333
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4 -0.0000001773 0.0000001469
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5 -0.0000000035 0.0000000063
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6 0.0000003732 -0.0000003780
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7 0.0000000632 -0.0000001290
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8 -0.0000001323 0.0000001450
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9 -0.0000001410 0.0000001388
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10 -0.0000000439 0.0000000610
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orbital 1 1 5 -31.1431793323 1.0000000000
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1 -0.0000000626 -0.0000000730
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2 -0.0000000327 -0.0000001861
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3 -0.0000000794 -0.0000001624
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4 -0.0000001234 -0.0000003203
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5 -0.0000000904 -0.0000001816
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6 -0.0000000656 -0.0000000315
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7 -0.0000000617 -0.0000001221
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8 -0.0000000670 -0.0000001296
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9 -0.0000001398 -0.0000003186
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10 -0.0000000917 -0.0000001713
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orbital 1 1 6 -31.1398894078 1.0000000000
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1 -0.0000000019 0.0000001275
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2 0.0000000669 0.0000001998
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3 -0.0000000047 -0.0000001153
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4 0.0000000496 0.0000003276
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5 0.0000000036 0.0000000623
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6 -0.0000000424 0.0000001655
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7 0.0000000265 0.0000001694
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8 -0.0000000057 -0.0000001191
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9 0.0000000784 0.0000003664
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10 0.0000000020 0.0000000458
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orbital 1 1 7 -0.6761612463 1.0000000000
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1 0.0000097382 0.0000143448
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2 -0.0000213398 -0.0000314338
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3 -0.0000557070 -0.0000820572
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4 -0.0000233806 -0.0000344397
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5 0.0000175169 0.0000258026
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6 0.0000096993 0.0000142868
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7 -0.0000202767 -0.0000298677
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8 0.0000332164 0.0000489281
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9 -0.0000230912 -0.0000340137
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10 -0.0000380102 -0.0000559895
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orbital 1 1 8 2.8602190017 1.0000000000
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1 -0.0000024747 -0.0000060230
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2 -0.0000027426 -0.0000066789
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3 0.0025803689 0.0062817526
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4 0.0000223226 0.0000543430
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5 0.3036040110 0.7391056807
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6 0.0000025450 0.0000061975
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7 0.0000135903 0.0000330834
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8 -0.0025697718 -0.0062559542
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9 -0.0000262916 -0.0000640081
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10 -0.3036186070 -0.7391412142
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orbital 1 1 9 2.8612880830 1.0000000000
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1 0.0000145437 0.0000190125
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2 -0.0000022421 -0.0000029306
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3 -0.4854918821 -0.6346758905
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4 -0.0000168955 -0.0000220860
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5 0.0041071858 0.0053692597
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6 -0.0000111263 -0.0000145459
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7 0.0000122352 0.0000159953
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8 0.4854602636 0.6346345558
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9 0.0000203052 0.0000265443
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10 -0.0041241617 -0.0053914515
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orbital 1 1 10 6.2840766190 1.0000000000
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1 -0.4270270524 -0.4214467380
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2 -0.2718847698 -0.2683318286
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3 0.0000068902 0.0000068004
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4 -0.0800350420 -0.0789891589
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5 0.0000194964 0.0000192415
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6 -0.4270822614 -0.4215012260
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7 -0.2718473098 -0.2682948571
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8 0.0000177758 0.0000175439
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9 -0.0800494584 -0.0790033867
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10 0.0000088629 0.0000087471
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orbital 1 1 11 6.2860320066 1.0279615776
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1 0.1393023579 0.0534355017
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2 -0.3774697383 -0.1447950000
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3 0.0000396149 0.0000151955
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4 0.5386788126 0.2066337823
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5 0.0001875900 0.0000719584
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6 0.1393352145 0.0534481049
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7 -0.3774117808 -0.1447727683
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8 0.0000430412 0.0000165100
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9 0.5386769588 0.2066330700
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10 0.0001629167 0.0000624939
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orbital 1 1 12 6.2873139259 1.0272714563
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1 -0.2157566865 -0.2995521335
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2 0.2673648645 0.3712038637
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3 0.0000662563 0.0000919889
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4 0.2431297534 0.3375563347
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5 0.0000445086 0.0000617943
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6 -0.2157658086 -0.2995647990
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7 0.2673163767 0.3711365444
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8 0.0000595062 0.0000826172
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9 0.2431129115 0.3375329531
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10 0.0000521462 0.0000723985
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orbital 1 1 13 8.3134940089 -0.0340146741
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1 -0.0000036667 -0.0000345071
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2 -0.0000121612 -0.0001144429
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3 -0.0074287968 -0.0699088835
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4 0.0000289932 0.0002728394
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5 -0.0594174815 -0.5591497481
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6 -0.0000038681 -0.0000364010
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7 -0.0000034724 -0.0000326754
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8 -0.0074339149 -0.0699570477
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9 0.0000253789 0.0002388317
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10 -0.0594121362 -0.5590994475
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orbital 1 1 14 8.3155925192 -0.0339502330
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1 -0.0000141742 0.0000625713
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2 0.0000184994 -0.0000816653
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3 -0.1242110227 0.5483421077
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4 0.0000207310 -0.0000915176
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5 0.0155414909 -0.0686094808
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6 -0.0000182753 0.0000806783
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7 0.0000048464 -0.0000213956
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8 -0.1242261548 0.5484089103
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9 0.0000176165 -0.0000777693
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10 0.0155313446 -0.0685646888
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orbital 1 1 15 9.6220310053 0.0000000000
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1 0.3851505615 0.4101706566
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2 0.2152736333 0.2292582074
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3 0.0000205519 0.0000218872
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4 0.0615159503 0.0655121402
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5 -0.0000050709 -0.0000054006
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6 -0.3850900003 -0.4101061609
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7 -0.2153095128 -0.2292964180
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8 0.0000051434 0.0000054776
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9 -0.0614997014 -0.0654948361
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10 -0.0000180899 -0.0000192653
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orbital 1 1 16 9.6242147088 0.0000000000
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1 0.1542266147 -0.0412321614
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2 -0.4057422204 0.1084743286
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3 -0.0000163496 0.0000043710
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4 0.4547861924 -0.1215861313
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5 -0.0000328412 0.0000087801
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6 -0.1541894315 0.0412222204
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7 0.4058205297 -0.1084952643
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8 0.0000036078 -0.0000009645
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9 -0.4547852026 0.1215858668
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10 0.0001004649 -0.0000268590
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orbital 1 1 17 9.6250018770 0.0000000000
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1 -0.1743472877 0.2260960831
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2 0.2350358508 -0.3047978892
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3 -0.0000179994 0.0000233418
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4 0.2688397240 -0.3486352406
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5 -0.0000320358 0.0000415445
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6 0.1743417773 -0.2260889372
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7 -0.2350886615 0.3048663749
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8 0.0000361767 -0.0000469144
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9 -0.2688581537 0.3486591406
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10 0.0000157254 -0.0000203929
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orbital 1 1 18 16.3048992459 0.0000000000
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1 -0.0000029555 -0.0000026387
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2 -0.0000001898 -0.0000001695
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3 0.0000079977 0.0000071406
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4 0.0000039281 0.0000035072
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5 0.0000062085 0.0000055432
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6 0.0000023632 0.0000021100
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7 -0.0000010223 -0.0000009128
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8 -0.0000080628 -0.0000071987
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9 -0.0000036942 -0.0000032983
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10 -0.0000060276 -0.0000053816
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orbital 1 1 19 16.3057696210 0.0000000000
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1 -0.0000026648 -0.0000012207
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2 -0.0000022963 -0.0000010519
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3 -0.0000008770 -0.0000004017
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4 -0.0000012524 -0.0000005737
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5 -0.0000060024 -0.0000027495
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6 0.0000045428 0.0000020809
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7 0.0000018584 0.0000008513
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8 0.0000010459 0.0000004791
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9 0.0000014660 0.0000006715
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10 0.0000061749 0.0000028285
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orbital 1 1 20 16.3070954102 0.0000000000
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1 -0.0000020808 0.0000022985
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2 -0.0000010244 0.0000011315
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3 0.0000064176 -0.0000070889
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5 -0.0000004948 0.0000005466
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6 0.0000014468 -0.0000015982
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7 0.0000019446 -0.0000021480
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8 -0.0000063692 0.0000070353
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9 0.0000013143 -0.0000014518
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10 0.0000006279 -0.0000006935
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orbital 1 1 21 22.8846853780 0.0000000000
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1 -0.0000000206 0.0000004282
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2 0.0000002234 -0.0000046517
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3 0.0004067182 -0.0084695657
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4 -0.0000012136 0.0000252722
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5 0.0038361741 -0.0798851054
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6 0.0000000266 -0.0000005533
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8 -0.0004066850 0.0084688740
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9 0.0000012825 -0.0000267060
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10 -0.0038363017 0.0798877628
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orbital 1 1 22 22.8860872997 0.0000000000
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1 0.0000009938 0.0000005379
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2 -0.0000028128 -0.0000015225
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3 0.0703848226 0.0380984082
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9 0.0000108323 0.0000058634
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orbital 1 1 23 27.0785328814 0.0000000000
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1 -0.0000040022 0.0000001622
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2 0.0000015265 -0.0000000619
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orbital 1 1 24 27.0787140748 0.0000000000
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1 -0.0000000726 0.0000011619
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2 0.0000000586 -0.0000009376
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10 0.0000001666 -0.0000026676
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orbital 1 1 25 27.0795065063 0.0000000000
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1 0.0000000488 -0.0000003715
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2 0.0000001718 -0.0000013081
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3 0.0000003665 -0.0000027907
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6 0.0000000023 -0.0000000175
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9 -0.0000001713 0.0000013043
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10 -0.0000004114 0.0000031318
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orbital 1 1 26 28.0272961599 0.0000000000
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1 -0.0000049195 -0.0000049727
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2 0.0000094778 0.0000095803
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3 0.0000158329 0.0000160040
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4 0.0000071352 0.0000072123
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5 0.0000026770 0.0000027059
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6 0.0000052863 0.0000053434
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8 0.0000002641 0.0000002670
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9 -0.0000075299 -0.0000076113
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10 -0.0000127747 -0.0000129128
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orbital 1 1 27 33.5125988716 0.0000000000
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1 0.0000018068 0.0000024627
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2 -0.0000004755 -0.0000006481
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3 0.0052681159 0.0071806763
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orbital 1 1 28 33.5131651759 0.0000000000
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1 0.0000000824 -0.0000012750
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orbital 1 1 29 36.0809399026 0.0000000000
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1 -0.0000099776 0.0000052226
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2 0.0000032902 -0.0000017138
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3 -0.0000204777 0.0000107429
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orbital 1 1 30 36.0814145594 0.0000000000
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1 0.0000007211 -0.0000040773
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7 0.0000019530 -0.0000121072
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8 -0.0000047985 0.0000290016
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9 0.0000038252 -0.0000233596
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10 -0.0000003472 0.0000021013
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orbital 1 1 31 37.4580487286 0.0000000000
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1 0.0979053817 -0.0592044219
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2 0.0668382846 -0.0429196630
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3 -0.0000024903 0.0000018326
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4 0.0199327055 -0.0138946478
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5 -0.0000007740 0.0000004541
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6 0.0979091801 -0.0592075320
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9 0.0199319193 -0.0138938279
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10 -0.0000001262 -0.0000000106
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orbital 1 1 32 37.4596088148 0.0000000000
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1 -0.0256352594 0.0017127509
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2 0.0730341706 -0.0030315664
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8 0.0000053801 -0.0000004690
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9 -0.1182496834 0.0030757787
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10 0.0000113396 -0.0000000574
|
|
|
|
orbital 1 2 1 -31.6361207254 1.0000000000
|
|
1 0.0000177372 -0.0000312218
|
|
2 0.0000004633 -0.0000011438
|
|
3 0.0538432458 -0.0948775626
|
|
4 0.0003487324 -0.0006144772
|
|
5 -0.0812749235 0.1432150472
|
|
6 -0.0000002873 0.0000004617
|
|
7 -0.0000000176 0.0000000381
|
|
8 -0.0000474920 0.0000836178
|
|
9 0.0000002025 -0.0000003406
|
|
10 0.0000724218 -0.0001274924
|
|
|
|
orbital 1 2 2 -31.6356179039 1.0000000000
|
|
1 0.0000007344 0.0000008672
|
|
2 -0.0000000334 0.0000000335
|
|
3 0.0000627161 0.0000727456
|
|
4 -0.0000000234 -0.0000000982
|
|
5 -0.0000956411 -0.0001109548
|
|
6 0.0000391198 0.0000453600
|
|
7 0.0000008409 0.0000010447
|
|
8 0.0712531488 0.0826043321
|
|
9 0.0004323786 0.0005013099
|
|
10 -0.1075557130 -0.1246901991
|
|
|
|
orbital 1 2 3 -31.4490592044 1.0000000000
|
|
1 0.0005011188 0.0001775678
|
|
2 -0.0000000117 -0.0000000546
|
|
3 -0.0000008618 -0.0000003540
|
|
4 0.0000858596 0.0000304033
|
|
5 0.0000015137 0.0000005967
|
|
6 -0.0901795091 -0.0318925386
|
|
7 -0.0000018751 -0.0000006589
|
|
8 0.0001462077 0.0000517323
|
|
9 -0.0103025944 -0.0036435728
|
|
10 -0.0002213344 -0.0000783316
|
|
|
|
orbital 1 2 4 -31.4490221108 1.0000000000
|
|
1 -0.0885681252 0.0340433911
|
|
2 -0.0000018629 0.0000006829
|
|
3 0.0001661532 -0.0000638274
|
|
4 -0.0152100984 0.0058464084
|
|
5 -0.0002514037 0.0000965730
|
|
6 -0.0005001836 0.0001926305
|
|
7 0.0000001535 -0.0000000842
|
|
8 0.0000012193 -0.0000003810
|
|
9 -0.0000565175 0.0000217536
|
|
10 -0.0000022425 0.0000007643
|
|
|
|
orbital 1 2 5 -31.4461856414 1.0000000000
|
|
1 0.0000022869 0.0000046715
|
|
2 -0.0000003798 -0.0000002430
|
|
3 -0.0000001972 -0.0000003622
|
|
4 -0.0000118303 -0.0000240237
|
|
5 0.0000001748 0.0000002805
|
|
6 -0.0048478323 -0.0097904512
|
|
7 -0.0000004989 -0.0000009029
|
|
8 -0.0003276682 -0.0006617470
|
|
9 0.0424470659 0.0857239431
|
|
10 0.0004943406 0.0009983563
|
|
|
|
orbital 1 2 6 -31.4454431298 1.0000000000
|
|
1 -0.0028281913 0.0160451803
|
|
2 -0.0000002692 0.0000011101
|
|
3 -0.0001359378 0.0007714770
|
|
4 0.0164718472 -0.0934499959
|
|
5 0.0002050666 -0.0011638049
|
|
6 -0.0000005526 0.0000032781
|
|
7 0.0000000579 -0.0000002871
|
|
8 0.0000000520 -0.0000002986
|
|
9 0.0000047235 -0.0000266716
|
|
10 -0.0000000501 0.0000002303
|
|
|
|
orbital 1 2 7 3.0141009165 1.0000000000
|
|
1 0.0000302284 0.0000114759
|
|
2 -0.0000613985 -0.0000233085
|
|
3 -0.5164196922 -0.1960349560
|
|
4 -0.0000344880 -0.0000130925
|
|
5 0.7794373673 0.2958775051
|
|
6 0.0000063191 0.0000023999
|
|
7 0.0000004118 0.0000001566
|
|
8 0.0028704206 0.0010896206
|
|
9 -0.0000101487 -0.0000038533
|
|
10 -0.0043985299 -0.0016696957
|
|
|
|
orbital 1 2 8 3.0147890316 1.0000000000
|
|
1 -0.0000008986 -0.0000115933
|
|
2 -0.0000000326 -0.0000003665
|
|
3 -0.0002372965 -0.0030621103
|
|
4 0.0000006838 0.0000088259
|
|
5 0.0003635084 0.0046907763
|
|
6 0.0000023396 0.0000301802
|
|
7 -0.0000061181 -0.0000789779
|
|
8 -0.0426685455 -0.5506051044
|
|
9 -0.0000024502 -0.0000316139
|
|
10 0.0644199610 0.8312905624
|
|
|
|
orbital 1 2 9 5.3202905279 1.0000000000
|
|
1 -0.0001544235 -0.0000160077
|
|
2 -0.0000024997 -0.0000002578
|
|
3 0.7684270381 0.0796538282
|
|
4 0.0003686443 0.0000382129
|
|
5 0.3868080146 0.0400958536
|
|
6 -0.0000117120 -0.0000012119
|
|
7 -0.0000000206 -0.0000000008
|
|
8 0.0049138132 0.0005093582
|
|
9 -0.0000101932 -0.0000010592
|
|
10 0.0024158536 0.0002504197
|
|
|
|
orbital 1 2 10 5.3208277644 1.0000000000
|
|
1 0.0000083987 -0.0000104494
|
|
2 0.0000000112 -0.0000000170
|
|
3 -0.0030945464 0.0038501709
|
|
4 0.0000060745 -0.0000075594
|
|
5 -0.0015221376 0.0018938138
|
|
6 -0.0000869766 0.0001082117
|
|
7 -0.0000018782 0.0000023363
|
|
8 0.4840344558 -0.6022253041
|
|
9 0.0002539020 -0.0003158975
|
|
10 0.2435375386 -0.3030041886
|
|
|
|
orbital 1 2 11 6.7363049703 0.5069907916
|
|
1 -0.0024123336 0.0050868350
|
|
2 0.0000008612 -0.0000018333
|
|
3 0.0000059184 -0.0000124711
|
|
4 -0.0008870896 0.0018705868
|
|
5 0.0000013725 -0.0000029050
|
|
6 0.3908127120 -0.8240989575
|
|
7 0.0003860176 -0.0008139837
|
|
8 -0.0000004573 0.0000009674
|
|
9 0.1343710658 -0.2833455771
|
|
10 0.0000024733 -0.0000052184
|
|
|
|
orbital 1 2 12 6.7368467815 0.5060034325
|
|
1 -0.8439868870 0.3173284136
|
|
2 -0.0007950410 0.0002989237
|
|
3 -0.0000070797 0.0000026614
|
|
4 -0.3204518215 0.1204858372
|
|
5 -0.0000140476 0.0000052840
|
|
6 -0.0053229683 0.0020013744
|
|
7 -0.0000037321 0.0000014019
|
|
8 0.0000173640 -0.0000065314
|
|
9 -0.0017859592 0.0006714961
|
|
10 -0.0000012877 0.0000004875
|
|
|
|
orbital 1 2 13 6.7383641940 0.0602429043
|
|
1 -0.2928327802 0.0304601830
|
|
2 -0.0004598989 0.0000478371
|
|
3 -0.0003279080 0.0000341082
|
|
4 0.7711611442 -0.0802154423
|
|
5 -0.0000577329 0.0000060057
|
|
6 0.1591881106 -0.0165586036
|
|
7 0.0002918010 -0.0000303521
|
|
8 0.0002077011 -0.0000216020
|
|
9 -0.4631473599 0.0481761654
|
|
10 0.0000219804 -0.0000022899
|
|
|
|
orbital 1 2 14 6.7383717297 0.0601072131
|
|
1 -0.1738657493 -0.0175232503
|
|
2 -0.0002796678 -0.0000281890
|
|
3 -0.0001961661 -0.0000197723
|
|
4 0.4580127207 0.0461613141
|
|
5 -0.0000154370 -0.0000015513
|
|
6 -0.2683292660 -0.0270438446
|
|
7 -0.0004677318 -0.0000471347
|
|
8 -0.0003447887 -0.0000347492
|
|
9 0.7803090581 0.0786442672
|
|
10 -0.0000672624 -0.0000067806
|
|
|
|
orbital 1 2 15 7.8587982251 0.0000000000
|
|
1 -0.0008767743 -0.0004472353
|
|
2 0.8627745858 0.4400939091
|
|
3 -0.0000325191 -0.0000165890
|
|
4 0.0001860928 0.0000949232
|
|
5 0.0000522630 0.0000266632
|
|
6 -0.0000058962 -0.0000030061
|
|
7 -0.0020618856 -0.0010517590
|
|
8 0.0000000421 0.0000000221
|
|
9 0.0000022757 0.0000011636
|
|
10 -0.0000000774 -0.0000000406
|
|
|
|
orbital 1 2 16 7.8593981504 0.0000000000
|
|
1 0.0000006243 0.0000037202
|
|
2 0.0003834711 0.0022826881
|
|
3 -0.0000000132 -0.0000000798
|
|
4 -0.0000017832 -0.0000106271
|
|
5 0.0000000219 0.0000001314
|
|
6 -0.0001705730 -0.0010153672
|
|
7 0.1604575812 0.9551530275
|
|
8 -0.0000035235 -0.0000209756
|
|
9 0.0000389839 0.0002320530
|
|
10 0.0000060551 0.0000360404
|
|
|
|
orbital 1 2 17 9.5357582327 0.0000000000
|
|
1 0.0000033294 -0.0000016528
|
|
2 -0.0000000198 0.0000000098
|
|
3 -0.0017073185 0.0008475428
|
|
4 -0.0000035797 0.0000017770
|
|
5 0.0025515347 -0.0012666265
|
|
6 -0.0000099753 0.0000049519
|
|
7 -0.0000907287 0.0000450393
|
|
8 0.1737020998 -0.0862287600
|
|
9 0.0002057798 -0.0001021527
|
|
10 -0.2618998933 0.1300116871
|
|
|
|
orbital 1 2 18 9.5361406143 0.0000000000
|
|
1 0.0000008015 0.0000054945
|
|
2 -0.0000012912 -0.0000088521
|
|
3 -0.0279931325 -0.1919110681
|
|
4 -0.0000316887 -0.0002172464
|
|
5 0.0422087645 0.2893684403
|
|
6 0.0000001351 0.0000009263
|
|
7 0.0000001530 0.0000010491
|
|
8 -0.0002749648 -0.0018850620
|
|
9 -0.0000007596 -0.0000052075
|
|
10 0.0004109131 0.0028170757
|
|
|
|
orbital 1 2 19 23.3818183621 0.0000000000
|
|
1 0.0000030477 -0.0000093157
|
|
2 0.0000000218 -0.0000000665
|
|
3 0.0379253258 -0.1159231542
|
|
4 0.0000273703 -0.0000836606
|
|
5 0.0190718369 -0.0582952802
|
|
6 -0.0000050128 0.0000153221
|
|
7 -0.0000000000 0.0000000001
|
|
8 0.0005890300 -0.0018004384
|
|
9 -0.0000059430 0.0000181655
|
|
10 0.0002957143 -0.0009038850
|
|
|
|
orbital 1 2 20 23.3823082341 0.0000000000
|
|
1 0.0000198897 0.0000009249
|
|
2 0.0000000020 0.0000000001
|
|
3 -0.0018918791 -0.0000879729
|
|
4 0.0000175987 0.0000008183
|
|
5 -0.0009497163 -0.0000441621
|
|
6 0.0000138559 0.0000006443
|
|
7 0.0000000023 0.0000000001
|
|
8 0.1218333040 0.0056652868
|
|
9 0.0000973069 0.0000045248
|
|
10 0.0612741968 0.0028492693
|
|
|
|
orbital 1 2 21 23.7209767866 0.0000000000
|
|
1 0.0004434739 -0.0003662129
|
|
2 -0.0000015039 0.0000012419
|
|
3 -0.0000110483 0.0000091235
|
|
4 0.0001568101 -0.0001294910
|
|
5 -0.0000085533 0.0000070632
|
|
6 -0.0998085171 0.0824200997
|
|
7 0.0000034372 -0.0000028384
|
|
8 0.0000356021 -0.0000293996
|
|
9 -0.0318537935 0.0263042966
|
|
10 0.0000188788 -0.0000155898
|
|
|
|
orbital 1 2 22 23.7216948473 0.0000000000
|
|
1 -0.1257049945 0.0140344391
|
|
2 0.0000035036 -0.0000003912
|
|
3 0.0000440300 -0.0000049158
|
|
4 -0.0492921356 0.0055032616
|
|
5 0.0000237912 -0.0000026562
|
|
6 -0.0005973290 0.0000666893
|
|
7 0.0000007029 -0.0000000785
|
|
8 0.0000167560 -0.0000018707
|
|
9 -0.0001191616 0.0000133039
|
|
10 0.0000131364 -0.0000014666
|
|
|
|
orbital 1 2 23 23.7221415225 0.0000000000
|
|
1 -0.0002494160 0.0001898605
|
|
2 0.0000014892 -0.0000011336
|
|
3 -0.0000130993 0.0000099715
|
|
4 0.0004872768 -0.0003709250
|
|
5 0.0000014040 -0.0000010687
|
|
6 0.0328597686 -0.0250135185
|
|
7 0.0000036902 -0.0000028091
|
|
8 0.0000865754 -0.0000659030
|
|
9 -0.1030255405 0.0784251191
|
|
10 0.0000492033 -0.0000374546
|
|
|
|
orbital 1 2 24 23.7227326753 0.0000000000
|
|
1 0.0242725163 0.0432238342
|
|
2 0.0000027734 0.0000049388
|
|
3 0.0000474291 0.0000844604
|
|
4 -0.0619491028 -0.1103172705
|
|
5 0.0000275911 0.0000491335
|
|
6 0.0001113636 0.0001983132
|
|
7 -0.0000015948 -0.0000028400
|
|
8 0.0000065012 0.0000115772
|
|
9 -0.0003160079 -0.0005627382
|
|
10 -0.0000017509 -0.0000031179
|
|
|
|
orbital 1 2 25 24.8509996509 0.0000000000
|
|
1 0.0000019119 -0.0000118525
|
|
2 -0.0000023079 0.0000143079
|
|
3 0.0064524576 -0.0400017738
|
|
4 0.0000027993 -0.0000173540
|
|
5 -0.0097390394 0.0603768167
|
|
6 0.0000007226 -0.0000044798
|
|
7 0.0000000026 -0.0000000162
|
|
8 0.0000036865 -0.0000228545
|
|
9 -0.0000007788 0.0000048279
|
|
10 -0.0000025409 0.0000157524
|
|
|
|
orbital 1 2 26 24.8518201107 0.0000000000
|
|
1 -0.0000039417 0.0000018679
|
|
2 -0.0000000141 0.0000000067
|
|
3 -0.0000205849 0.0000097548
|
|
4 0.0000044831 -0.0000021245
|
|
5 0.0000139006 -0.0000065873
|
|
6 0.0000099248 -0.0000047032
|
|
7 -0.0000139245 0.0000065986
|
|
8 0.0366031762 -0.0173456528
|
|
9 0.0000180177 -0.0000085383
|
|
10 -0.0552578763 0.0261858133
|
|
|
|
orbital 1 2 27 36.0806246935 0.0000000000
|
|
1 0.0000016852 0.0000052724
|
|
2 -0.0000038630 -0.0000126471
|
|
3 0.0141957063 0.0443714488
|
|
4 -0.0000101288 -0.0000316611
|
|
5 -0.0214159176 -0.0669396262
|
|
6 0.0000000967 0.0000003021
|
|
7 -0.0000001067 -0.0000000085
|
|
8 -0.0000007718 -0.0000024174
|
|
9 -0.0000000784 -0.0000002338
|
|
10 0.0000012057 0.0000037697
|
|
|
|
orbital 1 2 28 36.0807191175 0.0000000000
|
|
1 0.0000001589 -0.0000001433
|
|
2 -0.0000000821 0.0000001197
|
|
3 -0.0000019133 0.0000016774
|
|
4 -0.0000002164 0.0000001874
|
|
5 0.0000029818 -0.0000026169
|
|
6 -0.0000049204 0.0000043231
|
|
7 0.0000083683 -0.0000073161
|
|
8 -0.0349942056 0.0307703714
|
|
9 0.0000264478 -0.0000232550
|
|
10 0.0527827719 -0.0464118441
|
|
|
|
orbital 1 2 29 37.1335980912 0.0000000000
|
|
1 0.0009668399 -0.0018496732
|
|
2 0.0000241873 -0.0000082780
|
|
3 0.0000007009 -0.0000002553
|
|
4 0.0002978571 -0.0005666707
|
|
5 -0.0000010817 0.0000005126
|
|
6 0.0141080288 -0.0272445757
|
|
7 -0.0000398840 0.0000445189
|
|
8 -0.0000023393 0.0000046678
|
|
9 0.0138977123 -0.0268014040
|
|
10 0.0000042100 -0.0000080742
|
|
|
|
orbital 1 2 30 37.1337113036 0.0000000000
|
|
1 -0.0088328041 -0.0221627331
|
|
2 0.0000067244 0.0000727634
|
|
3 -0.0000001092 0.0000012127
|
|
4 -0.0011072406 -0.0027645621
|
|
5 -0.0000002344 -0.0000029718
|
|
6 -0.0088067561 -0.0225602653
|
|
7 0.0000540269 0.0001019700
|
|
8 -0.0000027100 -0.0000063473
|
|
9 0.0095786954 0.0245266899
|
|
10 0.0000037800 0.0000088226
|
|
|
|
orbital 1 2 31 37.1337213744 0.0000000000
|
|
1 -0.0352235797 0.0019927604
|
|
2 0.0001382726 -0.0000277730
|
|
3 0.0000004838 -0.0000002919
|
|
4 -0.0054683699 0.0003099971
|
|
5 -0.0000016420 0.0000006773
|
|
6 0.0181369143 -0.0009171467
|
|
7 -0.0000984084 -0.0000020106
|
|
8 0.0000030138 0.0000001153
|
|
9 -0.0158856962 0.0007689537
|
|
10 -0.0000045272 0.0000000600
|
|
|
|
orbital 1 2 32 37.1341038783 0.0000000000
|
|
1 -0.0049279613 -0.0038201435
|
|
2 0.0000334358 0.0000599397
|
|
3 -0.0000072906 -0.0000048748
|
|
4 0.0337173895 0.0261088720
|
|
5 0.0000113419 0.0000074818
|
|
6 0.0001414624 0.0001122505
|
|
7 0.0000171054 0.0000039092
|
|
8 -0.0000010068 -0.0000008178
|
|
9 -0.0005200000 -0.0004008616
|
|
10 0.0000014055 0.0000010506
|
|
|
|
orbital 1 3 1 -31.6369143303 1.0000000000
|
|
1 -0.0000014452 0.0000014606
|
|
2 -0.0000021908 0.0000022270
|
|
3 -0.0005426818 0.0005496905
|
|
4 0.0000000371 0.0000000416
|
|
5 -0.0008195802 0.0008301595
|
|
6 -0.0000416244 0.0000421495
|
|
7 -0.0001164825 0.0001180027
|
|
8 -0.0766376963 0.0776289750
|
|
9 -0.0000013703 0.0000013561
|
|
10 -0.1156847739 0.1171811116
|
|
|
|
orbital 1 3 2 -31.6368151916 1.0000000000
|
|
1 0.0000267741 0.0000235899
|
|
2 0.0002259892 0.0001990184
|
|
3 0.0818680989 0.0720939770
|
|
4 0.0000014656 0.0000012987
|
|
5 0.1235775125 0.1088237658
|
|
6 -0.0000019869 -0.0000017365
|
|
7 -0.0000014208 -0.0000012645
|
|
8 -0.0005795437 -0.0005103497
|
|
9 0.0000000257 -0.0000000509
|
|
10 -0.0008752489 -0.0007707644
|
|
|
|
orbital 1 3 3 -31.4487978525 1.0000000000
|
|
1 -0.0277058278 0.0838887808
|
|
2 -0.0120022983 0.0363410441
|
|
3 0.0000547042 -0.0001656300
|
|
4 -0.0000002026 0.0000007067
|
|
5 0.0000826569 -0.0002502463
|
|
6 -0.0000244408 0.0000739809
|
|
7 -0.0000140064 0.0000424153
|
|
8 0.0000002517 -0.0000007347
|
|
9 -0.0000001678 0.0000004875
|
|
10 0.0000005281 -0.0000015640
|
|
|
|
orbital 1 3 4 -31.4484645575 1.0000000000
|
|
1 0.0000376738 -0.0000736475
|
|
2 0.0000159350 -0.0000311468
|
|
3 -0.0000004473 0.0000008638
|
|
4 0.0000002611 -0.0000005045
|
|
5 -0.0000009214 0.0000017727
|
|
6 -0.0378348636 0.0739797824
|
|
7 -0.0221449576 0.0433007723
|
|
8 0.0000700049 -0.0001369182
|
|
9 -0.0000002752 0.0000004961
|
|
10 0.0001058269 -0.0002069854
|
|
|
|
orbital 1 3 5 -31.4454648984 1.0000000000
|
|
1 -0.0000181431 -0.0000123831
|
|
2 0.0000435039 0.0000297490
|
|
3 -0.0000001394 -0.0000000982
|
|
4 -0.0000003501 -0.0000002281
|
|
5 -0.0000007292 -0.0000005130
|
|
6 -0.0401407653 -0.0274551711
|
|
7 0.0685864215 0.0469112024
|
|
8 -0.0001030954 -0.0000705591
|
|
9 -0.0000010276 -0.0000007315
|
|
10 -0.0001553018 -0.0001062916
|
|
|
|
orbital 1 3 6 -31.4449464270 1.0000000000
|
|
1 0.0017370089 0.0382292589
|
|
2 -0.0040101355 -0.0882578091
|
|
3 0.0000133819 0.0002946716
|
|
4 0.0000000659 0.0000012107
|
|
5 0.0000201708 0.0004442355
|
|
6 -0.0000012776 -0.0000281323
|
|
7 0.0000022455 0.0000496259
|
|
8 0.0000000090 0.0000003770
|
|
9 -0.0000000468 -0.0000004643
|
|
10 -0.0000000157 0.0000000070
|
|
|
|
orbital 1 3 7 3.0141553415 1.0000000000
|
|
1 -0.0000010694 0.0000008990
|
|
2 -0.0000249463 0.0000209647
|
|
3 -0.1658202491 0.1393532902
|
|
4 -0.0000356875 0.0000299908
|
|
5 -0.2502848403 0.2103362900
|
|
6 0.0000400910 -0.0000336919
|
|
7 -0.0000267749 0.0000225011
|
|
8 -0.3888492947 0.3267841469
|
|
9 -0.0000873803 0.0000734333
|
|
10 -0.5872488326 0.4935166691
|
|
|
|
orbital 1 3 8 3.0141710899 1.0000000000
|
|
1 0.0000338001 0.0000404913
|
|
2 -0.0000309768 -0.0000371088
|
|
3 -0.3256549216 -0.3901209975
|
|
4 -0.0000700711 -0.0000839423
|
|
5 -0.4914904233 -0.5887850035
|
|
6 0.0000032639 0.0000039102
|
|
7 0.0000158909 0.0000190364
|
|
8 0.1387355306 0.1661993730
|
|
9 0.0000311839 0.0000373567
|
|
10 0.2095406370 0.2510209338
|
|
|
|
orbital 1 3 9 5.3206946072 1.0000000000
|
|
1 0.0000296785 0.0001077204
|
|
2 -0.0000241710 -0.0000877287
|
|
3 -0.2041909228 -0.7411265109
|
|
4 0.0000053840 0.0000195394
|
|
5 0.1027808494 0.3730509223
|
|
6 0.0000054613 0.0000198212
|
|
7 0.0000017083 0.0000062026
|
|
8 0.0203901068 0.0740074472
|
|
9 -0.0000005583 -0.0000020249
|
|
10 -0.0102593113 -0.0372369496
|
|
|
|
orbital 1 3 10 5.3207455387 1.0000000000
|
|
1 -0.0000163211 0.0000068182
|
|
2 0.0000034929 -0.0000014593
|
|
3 -0.0708145797 0.0295845836
|
|
4 0.0000019090 -0.0000007979
|
|
5 0.0356658688 -0.0149003201
|
|
6 0.0000874327 -0.0000365271
|
|
7 -0.0001724449 0.0000720436
|
|
8 -0.7095028815 0.2964127964
|
|
9 0.0000190174 -0.0000079455
|
|
10 0.3567788750 -0.1490534101
|
|
|
|
orbital 1 3 11 6.7359362686 0.5073515861
|
|
1 -0.0258545624 -0.0028078426
|
|
2 -0.0210028046 -0.0022809348
|
|
3 -0.0000342804 -0.0000037227
|
|
4 0.0000077344 0.0000008400
|
|
5 -0.0000167598 -0.0000018197
|
|
6 -0.8343916957 -0.0906161323
|
|
7 -0.4712637523 -0.0511799179
|
|
8 0.0000143700 0.0000015611
|
|
9 -0.0003616298 -0.0000392739
|
|
10 0.0000041708 0.0000004532
|
|
|
|
orbital 1 3 12 6.7360845141 0.5067433518
|
|
1 -0.4804327377 -0.5666313967
|
|
2 -0.3972073551 -0.4684738176
|
|
3 -0.0000027223 -0.0000032108
|
|
4 -0.0001259942 -0.0001486002
|
|
5 0.0000233451 0.0000275334
|
|
6 0.0189653456 0.0223680848
|
|
7 0.0104812360 0.0123617670
|
|
8 0.0000174904 0.0000206283
|
|
9 -0.0000022009 -0.0000025962
|
|
10 0.0000115882 0.0000136671
|
|
|
|
orbital 1 3 13 6.7384451071 0.0602185786
|
|
1 0.5703833276 -0.2286010746
|
|
2 -0.6898902829 0.2764976684
|
|
3 0.0001523355 -0.0000610537
|
|
4 0.0003950515 -0.0001583307
|
|
5 0.0000220375 -0.0000088319
|
|
6 0.0070914296 -0.0028421382
|
|
7 -0.0131012031 0.0052507656
|
|
8 -0.0000217300 0.0000087090
|
|
9 0.0000017980 -0.0000007209
|
|
10 0.0000059156 -0.0000023711
|
|
|
|
orbital 1 3 14 6.7387575293 0.0599914401
|
|
1 -0.0032069362 -0.0094570422
|
|
2 0.0040351156 0.0118992852
|
|
3 0.0000068710 0.0000202617
|
|
4 0.0000023743 0.0000069982
|
|
5 -0.0000020641 -0.0000060877
|
|
6 0.1523036050 0.4491332166
|
|
7 -0.2696601726 -0.7952099447
|
|
8 0.0000698613 0.0002060156
|
|
9 0.0001510386 0.0004454040
|
|
10 -0.0000014303 -0.0000042184
|
|
|
|
orbital 1 3 15 7.8595313942 0.0000000000
|
|
1 -0.0004152553 -0.0000825839
|
|
2 0.0002039859 0.0000405677
|
|
3 0.0000137868 0.0000027416
|
|
4 0.9495138745 0.1888344842
|
|
5 -0.0000121511 -0.0000024169
|
|
6 -0.0000102196 -0.0000020321
|
|
7 0.0000268643 0.0000053426
|
|
8 0.0000006209 0.0000001237
|
|
9 0.0282600377 0.0056202104
|
|
10 -0.0000001573 -0.0000000311
|
|
|
|
orbital 1 3 16 7.8596078377 0.0000000000
|
|
1 -0.0000031032 0.0000016468
|
|
2 0.0000189769 -0.0000100704
|
|
3 0.0000004254 -0.0000002254
|
|
4 0.0254515757 -0.0135069603
|
|
5 -0.0000003348 0.0000001787
|
|
6 0.0004842599 -0.0002569934
|
|
7 -0.0002070370 0.0001098730
|
|
8 -0.0000171096 0.0000090801
|
|
9 -0.8551494366 0.4538214694
|
|
10 0.0000044098 -0.0000023401
|
|
|
|
orbital 1 3 17 9.5357308293 0.0000000000
|
|
1 0.0000162365 0.0000260752
|
|
2 0.0000506915 0.0000814083
|
|
3 0.1022419924 0.1641962307
|
|
4 -0.0001652877 -0.0002654449
|
|
5 0.1542241389 0.2476773163
|
|
6 -0.0000026284 -0.0000042211
|
|
7 0.0000033073 0.0000053114
|
|
8 0.0068259524 0.0109621854
|
|
9 -0.0000123776 -0.0000198779
|
|
10 0.0102902002 0.0165256180
|
|
|
|
orbital 1 3 18 9.5358154756 0.0000000000
|
|
1 -0.0000015269 0.0000022697
|
|
2 0.0000018941 -0.0000028155
|
|
3 0.0072067218 -0.0107128139
|
|
4 -0.0000116228 0.0000172774
|
|
5 0.0108651409 -0.0161510651
|
|
6 -0.0000143492 0.0000213301
|
|
7 -0.0000684610 0.0001017675
|
|
8 -0.1079736655 0.1605031810
|
|
9 0.0001962489 -0.0002917246
|
|
10 -0.1628561617 0.2420861779
|
|
|
|
orbital 1 3 19 23.3821091999 0.0000000000
|
|
1 0.0000105342 -0.0000013656
|
|
2 -0.0000110476 0.0000014322
|
|
3 -0.1176705036 0.0152547170
|
|
4 0.0000004866 -0.0000000631
|
|
5 0.0591874609 -0.0076730186
|
|
6 0.0000468601 -0.0000060749
|
|
7 -0.0000108194 0.0000014026
|
|
8 0.0281426684 -0.0036483945
|
|
9 -0.0000001474 0.0000000191
|
|
10 -0.0141595369 0.0018356318
|
|
|
|
orbital 1 3 20 23.3821581950 0.0000000000
|
|
1 0.0000428122 -0.0000084115
|
|
2 -0.0000181017 0.0000035565
|
|
3 0.0278462792 -0.0054710465
|
|
4 -0.0000001304 0.0000000256
|
|
5 -0.0140071851 0.0027520359
|
|
6 -0.0000067673 0.0000013296
|
|
7 0.0000355472 -0.0000069841
|
|
8 0.1164244443 -0.0228742778
|
|
9 -0.0000005424 0.0000001066
|
|
10 -0.0585741689 0.0115082517
|
|
|
|
orbital 1 3 21 23.7208656763 0.0000000000
|
|
1 0.0166333018 0.0101351541
|
|
2 0.0138293851 0.0084266462
|
|
3 0.0000088244 0.0000053769
|
|
4 -0.0000038722 -0.0000023594
|
|
5 -0.0000210979 -0.0000128556
|
|
6 0.0941620755 0.0573756896
|
|
7 0.0642438273 0.0391456314
|
|
8 -0.0000215157 -0.0000131101
|
|
9 -0.0000014636 -0.0000008918
|
|
10 0.0000155661 0.0000094849
|
|
|
|
orbital 1 3 22 23.7208909775 0.0000000000
|
|
1 0.0869419978 0.0543548288
|
|
2 0.0724737540 0.0453095005
|
|
3 -0.0000044158 -0.0000027607
|
|
4 0.0000005712 0.0000003571
|
|
5 0.0000079732 0.0000049847
|
|
6 -0.0177584224 -0.0111022987
|
|
7 -0.0120796240 -0.0075519993
|
|
8 -0.0000011360 -0.0000007102
|
|
9 0.0000043768 0.0000027363
|
|
10 0.0000166129 0.0000103862
|
|
|
|
orbital 1 3 23 23.7227236178 0.0000000000
|
|
1 0.0130977904 0.0857484787
|
|
2 -0.0157209022 -0.1029214396
|
|
3 0.0000017683 0.0000115769
|
|
4 0.0000013245 0.0000086710
|
|
5 -0.0000014008 -0.0000091705
|
|
6 0.0008350839 0.0054671185
|
|
7 -0.0012330961 -0.0080728206
|
|
8 -0.0000042072 -0.0000275438
|
|
9 -0.0000002284 -0.0000014953
|
|
10 0.0000029041 0.0000190127
|
|
|
|
orbital 1 3 24 23.7227896600 0.0000000000
|
|
1 -0.0062690746 0.0004547748
|
|
2 0.0075788567 -0.0005497897
|
|
3 0.0000284520 -0.0000020640
|
|
4 0.0000028988 -0.0000002103
|
|
5 -0.0000185816 0.0000013480
|
|
6 0.0761523675 -0.0055242884
|
|
7 -0.1116713056 0.0081009234
|
|
8 0.0000349710 -0.0000025369
|
|
9 0.0000054183 -0.0000003931
|
|
10 -0.0000199696 0.0000014486
|
|
|
|
orbital 1 3 25 24.8519436808 0.0000000000
|
|
1 -0.0000058630 0.0000099512
|
|
2 -0.0000024667 0.0000041866
|
|
3 -0.0001269566 0.0002154793
|
|
4 0.0000000618 -0.0000001049
|
|
5 -0.0001877603 0.0003186795
|
|
6 0.0000037206 -0.0000063148
|
|
7 -0.0000005144 0.0000008732
|
|
8 0.0205531867 -0.0348842529
|
|
9 -0.0000092481 0.0000156965
|
|
10 0.0310300796 -0.0526663413
|
|
|
|
orbital 1 3 26 24.8519828031 0.0000000000
|
|
1 -0.0000047262 0.0000066707
|
|
2 0.0000046586 -0.0000065753
|
|
3 -0.0234140928 0.0330474570
|
|
4 0.0000102741 -0.0000145012
|
|
5 -0.0353337581 0.0498712831
|
|
6 -0.0000065858 0.0000092955
|
|
7 -0.0000028310 0.0000039958
|
|
8 -0.0001442081 0.0002035402
|
|
9 0.0000000703 -0.0000000992
|
|
10 -0.0002133727 0.0003011615
|
|
|
|
orbital 1 3 27 36.0806250289 0.0000000000
|
|
1 -0.0000045543 -0.0000029515
|
|
2 0.0000139841 0.0000090380
|
|
3 -0.0391206595 -0.0252899473
|
|
4 0.0000020534 0.0000015920
|
|
5 -0.0590356964 -0.0381641988
|
|
6 -0.0000005231 -0.0000002977
|
|
7 -0.0000002608 -0.0000001536
|
|
8 -0.0000033115 -0.0000019802
|
|
9 0.0000000422 -0.0000004380
|
|
10 -0.0000049489 -0.0000029755
|
|
|
|
orbital 1 3 28 36.0807193198 0.0000000000
|
|
1 -0.0000005858 -0.0000003441
|
|
2 -0.0000002173 -0.0000001186
|
|
3 -0.0000032822 -0.0000018923
|
|
4 -0.0000000917 -0.0000000169
|
|
5 -0.0000049182 -0.0000028214
|
|
6 0.0000055443 0.0000032450
|
|
7 -0.0000188597 -0.0000110177
|
|
8 0.0402296223 0.0235129440
|
|
9 -0.0000018837 -0.0000011210
|
|
10 0.0606850397 0.0354684739
|
|
|
|
orbital 1 3 29 37.1334748609 0.0000000000
|
|
1 -0.0274405030 -0.0324057072
|
|
2 -0.0046445974 -0.0054852118
|
|
3 -0.0000004318 -0.0000001073
|
|
4 0.0000422490 0.0000597692
|
|
5 -0.0000000472 0.0000010002
|
|
6 0.0008321354 0.0009816229
|
|
7 0.0005765150 0.0006821669
|
|
8 -0.0000042064 -0.0000015073
|
|
9 0.0000030859 -0.0000183504
|
|
10 -0.0000062798 -0.0000023811
|
|
|
|
orbital 1 3 30 37.1336510823 0.0000000000
|
|
1 0.0011686754 -0.0008843682
|
|
2 -0.0004412883 0.0003340137
|
|
3 -0.0000015175 0.0000012076
|
|
4 -0.0000007022 0.0000052447
|
|
5 -0.0000019797 0.0000016169
|
|
6 0.0144843000 -0.0109565927
|
|
7 0.0311415799 -0.0235570528
|
|
8 -0.0000018364 0.0000013236
|
|
9 0.0000181761 -0.0000144609
|
|
10 -0.0000040307 0.0000030951
|
|
|
|
orbital 1 3 31 37.1339396743 0.0000000000
|
|
1 0.0005806431 -0.0000525895
|
|
2 0.0012767746 -0.0001212103
|
|
3 -0.0000021821 0.0000004336
|
|
4 0.0000002587 -0.0000083239
|
|
5 -0.0000025667 0.0000004850
|
|
6 0.0388893434 -0.0036383766
|
|
7 -0.0181021553 0.0016933480
|
|
8 0.0000034379 -0.0000003876
|
|
9 -0.0000981178 0.0000189181
|
|
10 0.0000047300 -0.0000005087
|
|
|
|
orbital 1 3 32 37.1341435276 0.0000000000
|
|
1 0.0063145477 0.0034583563
|
|
2 -0.0372537499 -0.0204043639
|
|
3 0.0000015582 0.0000006978
|
|
4 -0.0000524511 -0.0000274398
|
|
5 0.0000033882 0.0000017472
|
|
6 0.0006350006 0.0003500791
|
|
7 -0.0010591788 -0.0005814200
|
|
8 -0.0000018847 0.0000002423
|
|
9 -0.0000023442 -0.0000203762
|
|
10 -0.0000030694 0.0000001712
|
|
|
|
orbital 1 4 1 -32.0660723537 1.0000000000
|
|
1 0.0000008614 0.0000003695
|
|
2 0.0000003683 0.0000001574
|
|
3 -0.0000004431 -0.0000001924
|
|
4 -0.0000000846 -0.0000000312
|
|
5 0.0000000817 0.0000000345
|
|
6 -0.0000003988 -0.0000002194
|
|
7 -0.0000000839 -0.0000000317
|
|
8 0.0000008437 0.0000003868
|
|
9 0.0000003650 0.0000001847
|
|
10 0.0000003133 0.0000001261
|
|
|
|
orbital 1 4 2 -32.0657285384 1.0000000000
|
|
1 0.0000000460 -0.0000002766
|
|
2 -0.0000000091 0.0000000883
|
|
3 -0.0000001618 0.0000008695
|
|
4 -0.0000000674 0.0000003623
|
|
5 -0.0000000109 0.0000002946
|
|
6 -0.0000001985 0.0000009136
|
|
7 -0.0000000569 0.0000003461
|
|
8 0.0000000515 -0.0000002491
|
|
9 -0.0000000210 0.0000001023
|
|
10 -0.0000000881 0.0000001380
|
|
|
|
orbital 1 4 3 -31.4289826891 1.0000000000
|
|
1 0.0000000205 0.0000000026
|
|
2 0.0000001325 -0.0000002510
|
|
3 -0.0000000196 0.0000000155
|
|
4 0.0000003247 -0.0000006091
|
|
5 0.0000001316 -0.0000002468
|
|
6 0.0000000058 0.0000000650
|
|
7 0.0000000962 -0.0000002089
|
|
8 -0.0000000014 -0.0000000044
|
|
9 0.0000000265 -0.0000000477
|
|
10 0.0000000638 0.0000000005
|
|
|
|
orbital 1 4 4 -31.4283068807 1.0000000000
|
|
1 -0.0000000385 -0.0000000503
|
|
2 -0.0000001389 -0.0000001225
|
|
3 -0.0000000035 0.0000000016
|
|
4 -0.0000000875 -0.0000000635
|
|
5 0.0000000100 0.0000000080
|
|
6 0.0000000170 -0.0000000060
|
|
7 -0.0000001918 -0.0000001533
|
|
8 -0.0000000139 -0.0000000097
|
|
9 -0.0000005455 -0.0000004202
|
|
10 -0.0000001523 -0.0000002003
|
|
|
|
orbital 1 4 5 -31.1505897250 1.0000000000
|
|
1 -0.0000002414 0.0000004700
|
|
2 -0.0000000622 0.0000001140
|
|
3 0.0000000109 -0.0000000189
|
|
4 0.0000000164 -0.0000000298
|
|
5 -0.0000000822 0.0000000591
|
|
6 -0.0000001621 0.0000003236
|
|
7 -0.0000000311 0.0000000384
|
|
8 0.0000000433 -0.0000000874
|
|
9 0.0000000557 -0.0000001004
|
|
10 0.0000001552 -0.0000001828
|
|
|
|
orbital 1 4 6 -31.1502264078 1.0000000000
|
|
1 0.0000000011 0.0000000326
|
|
2 -0.0000000010 0.0000000486
|
|
3 0.0000000154 0.0000001378
|
|
4 0.0000000364 0.0000001397
|
|
5 0.0000000014 0.0000001975
|
|
6 -0.0000000225 -0.0000003213
|
|
7 -0.0000000294 -0.0000001212
|
|
8 0.0000000116 0.0000000625
|
|
9 0.0000000067 -0.0000000459
|
|
10 -0.0000000012 -0.0000000545
|
|
|
|
orbital 1 4 7 2.6970037077 1.0000000000
|
|
1 -0.1670190007 0.1668889746
|
|
2 0.0000490043 -0.0000489663
|
|
3 0.5104700578 -0.5100726516
|
|
4 0.0001548537 -0.0001547327
|
|
5 0.0000247782 -0.0000247596
|
|
6 0.6059848010 -0.6055130357
|
|
7 0.0001941235 -0.0001939729
|
|
8 -0.1406862873 0.1405767614
|
|
9 0.0000743464 -0.0000742884
|
|
10 -0.0000113774 0.0000113685
|
|
|
|
orbital 1 4 8 2.6979790513 1.0000000000
|
|
1 -0.6443898506 -0.5644850032
|
|
2 -0.0002644395 -0.0002316491
|
|
3 -0.1496046668 -0.1310535705
|
|
4 -0.0001736596 -0.0001521253
|
|
5 -0.0000008036 -0.0000007026
|
|
6 -0.1775983175 -0.1555759867
|
|
7 -0.0001782404 -0.0001561385
|
|
8 -0.5428031332 -0.4754951182
|
|
9 -0.0002331135 -0.0002042075
|
|
10 -0.0000201319 -0.0000176343
|
|
|
|
orbital 1 4 9 4.7343292579 1.0000000000
|
|
1 -0.0001174487 -0.0001374449
|
|
2 0.4222519097 0.4941443902
|
|
3 -0.0000025235 -0.0000029534
|
|
4 -0.2478222609 -0.2900164029
|
|
5 -0.0000563205 -0.0000659110
|
|
6 0.0000058477 0.0000068432
|
|
7 -0.2478289553 -0.2900242380
|
|
8 -0.0001358360 -0.0001589636
|
|
9 0.4222040503 0.4940883812
|
|
10 0.0000931247 0.0001089786
|
|
|
|
orbital 1 4 10 4.7350171737 1.0000000000
|
|
1 0.0002234544 -0.0002041399
|
|
2 -0.2816664608 0.2573193161
|
|
3 0.0003126037 -0.0002855823
|
|
4 -0.4798486926 0.4383707474
|
|
5 -0.0000672271 0.0000614167
|
|
6 0.0002612996 -0.0002387126
|
|
7 -0.4798563712 0.4383777632
|
|
8 0.0002504293 -0.0002287818
|
|
9 -0.2816314185 0.2572873027
|
|
10 -0.0000132363 0.0000120918
|
|
|
|
orbital 1 4 11 7.6132363247 0.0138220402
|
|
1 -0.0000300019 0.0000038085
|
|
2 -0.0000180862 0.0000022955
|
|
3 -0.0000022892 0.0000002905
|
|
4 0.0000014127 -0.0000001794
|
|
5 0.0000032526 -0.0000004129
|
|
6 0.0000151582 -0.0000019239
|
|
7 0.0000013959 -0.0000001770
|
|
8 -0.0000041313 0.0000005244
|
|
9 -0.0000180295 0.0000022886
|
|
10 0.0000214707 -0.0000027255
|
|
|
|
orbital 1 4 12 7.6138660585 0.0133811987
|
|
1 0.0000043267 -0.0000055649
|
|
2 -0.0000010624 0.0000013665
|
|
3 -0.0000073678 0.0000094769
|
|
4 -0.0000093987 0.0000120890
|
|
5 0.0000179854 -0.0000231329
|
|
6 -0.0000160774 0.0000206785
|
|
7 -0.0000093400 0.0000120134
|
|
8 0.0000054838 -0.0000070534
|
|
9 -0.0000010515 0.0000013524
|
|
10 0.0000103998 -0.0000133766
|
|
|
|
orbital 1 4 13 8.3162419741 -0.0340789028
|
|
1 0.0200681549 -0.1309739856
|
|
2 -0.0000132702 0.0000866070
|
|
3 -0.0893546744 0.5831695894
|
|
4 -0.0000438483 0.0002861739
|
|
5 -0.0001300046 0.0008484701
|
|
6 0.0578266931 -0.3774035233
|
|
7 0.0000166797 -0.0001088591
|
|
8 -0.0310132458 0.2024066672
|
|
9 -0.0000108782 0.0000709970
|
|
10 -0.0000256809 0.0001675997
|
|
|
|
orbital 1 4 14 8.3167482668 -0.0339771482
|
|
1 0.1492467119 0.3514071706
|
|
2 0.0000814385 0.0001917503
|
|
3 0.0800445805 0.1884680687
|
|
4 0.0000621112 0.0001462441
|
|
5 0.0000800812 0.0001885534
|
|
6 -0.0518007052 -0.1219667685
|
|
7 -0.0000677659 -0.0001595584
|
|
8 -0.2306374811 -0.5430448934
|
|
9 -0.0001213597 -0.0002857465
|
|
10 -0.0000842772 -0.0001984346
|
|
|
|
orbital 1 4 15 8.6754973235 0.0000000000
|
|
1 -0.0000200199 -0.0000779629
|
|
2 0.0000928956 0.0003617642
|
|
3 0.0000105891 0.0000412370
|
|
4 -0.0000387017 -0.0001507158
|
|
5 0.0033729637 0.0131353519
|
|
6 -0.0000102091 -0.0000397571
|
|
7 0.0000162412 0.0000632483
|
|
8 0.0000460138 0.0001791921
|
|
9 -0.0000424733 -0.0001654047
|
|
10 -0.2414412410 -0.9402454099
|
|
|
|
orbital 1 4 16 8.6758134699 0.0000000000
|
|
1 0.0000343152 -0.0000307247
|
|
2 -0.0000271627 0.0000243205
|
|
3 -0.0004387508 0.0003928409
|
|
4 0.0001190046 -0.0001065521
|
|
5 0.7232180442 -0.6475420866
|
|
6 0.0002495964 -0.0002234789
|
|
7 -0.0002571225 0.0002302174
|
|
8 -0.0000390676 0.0000349797
|
|
9 0.0000581814 -0.0000520937
|
|
10 0.0101034136 -0.0090462175
|
|
|
|
orbital 1 4 17 10.0197897413 0.0000000000
|
|
1 0.0000786720 0.0001238687
|
|
2 -0.2945658105 -0.4637924701
|
|
3 -0.0000137731 -0.0000216857
|
|
4 0.1491735791 0.2348730924
|
|
5 -0.0001358501 -0.0002138953
|
|
6 0.0000102973 0.0000162131
|
|
7 -0.1491682196 -0.2348646539
|
|
8 -0.0000800026 -0.0001259637
|
|
9 0.2946141134 0.4638685228
|
|
10 -0.0002485466 -0.0003913355
|
|
|
|
orbital 1 4 18 10.0202042126 0.0000000000
|
|
1 -0.0000830960 0.0001297406
|
|
2 0.1500512903 -0.2342802055
|
|
3 -0.0001181488 0.0001844698
|
|
4 0.2963564792 -0.4627114942
|
|
5 -0.0001692002 0.0002641781
|
|
6 0.0001185649 -0.0001851194
|
|
7 -0.2963510416 0.4627030044
|
|
8 0.0000915800 -0.0001429869
|
|
9 -0.1500785349 0.2343227434
|
|
10 0.0000181004 -0.0000282607
|
|
|
|
orbital 1 4 19 16.1555880666 0.0000000000
|
|
1 0.0010499931 -0.0053483950
|
|
2 -0.0000037900 0.0000193052
|
|
3 0.0061586023 -0.0313703361
|
|
4 -0.0000060011 0.0000305679
|
|
5 0.0000011828 -0.0000060247
|
|
6 0.0027938263 -0.0142310329
|
|
7 0.0000079040 -0.0000402609
|
|
8 0.0023133490 -0.0117836048
|
|
9 0.0000037347 -0.0000190234
|
|
10 -0.0000018378 0.0000093612
|
|
|
|
orbital 1 4 20 16.1561179403 0.0000000000
|
|
1 0.0119321692 0.0082567000
|
|
2 0.0000499927 0.0000345934
|
|
3 -0.0098843164 -0.0068396478
|
|
4 0.0000269679 0.0000186610
|
|
5 -0.0000044048 -0.0000030480
|
|
6 -0.0044760943 -0.0030973218
|
|
7 -0.0000397237 -0.0000274876
|
|
8 0.0263234236 0.0182150124
|
|
9 -0.0000391566 -0.0000270952
|
|
10 -0.0000142558 -0.0000098646
|
|
|
|
orbital 1 4 21 22.2150443506 0.0000000000
|
|
1 0.0000032798 0.0000090229
|
|
2 0.0000000210 0.0000000578
|
|
3 0.0000011607 0.0000031930
|
|
4 -0.0000000077 -0.0000000211
|
|
5 -0.0000001092 -0.0000003004
|
|
6 0.0000019155 0.0000052696
|
|
7 -0.0000000006 -0.0000000016
|
|
8 0.0000020988 0.0000057740
|
|
9 -0.0000000195 -0.0000000537
|
|
10 0.0000005349 0.0000014716
|
|
|
|
orbital 1 4 22 22.2157110049 0.0000000000
|
|
1 0.0000000266 -0.0000015202
|
|
2 -0.0000000004 0.0000000252
|
|
3 0.0000000994 -0.0000056913
|
|
4 -0.0000000010 0.0000000590
|
|
5 0.0000000308 -0.0000017627
|
|
6 0.0000001434 -0.0000082103
|
|
7 0.0000000006 -0.0000000315
|
|
8 0.0000000232 -0.0000013292
|
|
9 0.0000000001 -0.0000000067
|
|
10 -0.0000000176 0.0000010082
|
|
|
|
orbital 1 4 23 26.0829614683 0.0000000000
|
|
1 0.0000000791 -0.0000000192
|
|
2 0.0000023591 -0.0000005727
|
|
3 -0.0000001337 0.0000000325
|
|
4 0.0000066847 -0.0000016229
|
|
5 0.0000021066 -0.0000005114
|
|
6 -0.0000001729 0.0000000420
|
|
7 0.0000044066 -0.0000010698
|
|
8 0.0000000629 -0.0000000153
|
|
9 0.0000027454 -0.0000006665
|
|
10 0.0000009841 -0.0000002389
|
|
|
|
orbital 1 4 24 26.0837965653 0.0000000000
|
|
1 -0.0000001472 -0.0000000780
|
|
2 -0.0000015479 -0.0000008201
|
|
3 -0.0000000660 -0.0000000349
|
|
4 0.0000011110 0.0000005886
|
|
5 0.0000009207 0.0000004878
|
|
6 -0.0000000758 -0.0000000401
|
|
7 -0.0000014666 -0.0000007770
|
|
8 -0.0000001004 -0.0000000532
|
|
9 -0.0000042148 -0.0000022329
|
|
10 -0.0000019516 -0.0000010340
|
|
|
|
orbital 1 4 25 29.1630796847 0.0000000000
|
|
1 0.0000102349 -0.0000089884
|
|
2 0.0872881069 -0.0766577171
|
|
3 -0.0000009521 0.0000008361
|
|
4 0.0149185399 -0.0131016840
|
|
5 -0.0000007784 0.0000006835
|
|
6 0.0000041304 -0.0000036274
|
|
7 0.0149170258 -0.0131003543
|
|
8 -0.0000032196 0.0000028275
|
|
9 0.0873013349 -0.0766693341
|
|
10 -0.0000046323 0.0000040681
|
|
|
|
orbital 1 4 26 29.1636845295 0.0000000000
|
|
1 -0.0000038341 0.0000030113
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|
2 0.0156195395 -0.0122677382
|
|
3 0.0000026501 -0.0000020815
|
|
4 -0.0913694152 0.0717624263
|
|
5 0.0000045283 -0.0000035566
|
|
6 -0.0000083566 0.0000065633
|
|
7 -0.0913592969 0.0717544792
|
|
8 0.0000009789 -0.0000007688
|
|
9 0.0156213521 -0.0122691618
|
|
10 -0.0000026110 0.0000020507
|
|
|
|
orbital 1 4 27 32.7663807521 0.0000000000
|
|
1 -0.0053977916 0.0342897432
|
|
2 -0.0000011972 0.0000076056
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|
3 0.0175348036 -0.1113907247
|
|
4 -0.0000017396 0.0000110517
|
|
5 -0.0000018634 0.0000118398
|
|
6 0.0070599107 -0.0448484392
|
|
7 0.0000007471 -0.0000047461
|
|
8 -0.0134112606 0.0851957097
|
|
9 0.0000011118 -0.0000070631
|
|
10 0.0000018463 -0.0000117291
|
|
|
|
orbital 1 4 28 32.7670176128 0.0000000000
|
|
1 -0.0398259888 0.0217678390
|
|
2 0.0000091339 -0.0000049923
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|
3 -0.0756809185 0.0413652014
|
|
4 0.0000098276 -0.0000053715
|
|
5 0.0000096902 -0.0000052960
|
|
6 -0.0304743390 0.0166564730
|
|
7 0.0000113065 -0.0000061799
|
|
8 -0.0989397585 0.0540778722
|
|
9 0.0000129158 -0.0000070595
|
|
10 0.0000157618 -0.0000086145
|
|
|
|
orbital 1 4 29 36.0609887635 0.0000000000
|
|
1 -0.0000086847 -0.0000216745
|
|
2 -0.0000002286 -0.0000005737
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|
3 -0.0000000451 -0.0000001175
|
|
4 -0.0000001055 -0.0000002451
|
|
5 -0.0000002521 -0.0000007039
|
|
6 -0.0000003200 -0.0000008115
|
|
7 -0.0000000881 -0.0000002471
|
|
8 -0.0000043293 -0.0000108123
|
|
9 -0.0000002242 -0.0000005615
|
|
10 -0.0000003389 -0.0000006779
|
|
|
|
orbital 1 4 30 36.0613302959 0.0000000000
|
|
1 0.0000086953 -0.0000228700
|
|
2 0.0000001253 -0.0000003492
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|
3 -0.0000057079 0.0000150176
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|
4 -0.0000001573 0.0000004131
|
|
5 -0.0000000526 0.0000001951
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|
6 -0.0000116312 0.0000306078
|
|
7 -0.0000001612 0.0000004361
|
|
8 0.0000042330 -0.0000111423
|
|
9 0.0000001178 -0.0000003263
|
|
10 0.0000001141 -0.0000003347
|
|
|
|
orbital 1 4 31 36.0810055806 0.0000000000
|
|
1 -0.0002975578 0.0006448247
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|
2 -0.0000079886 0.0000172339
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|
3 0.0238763804 -0.0517488541
|
|
4 -0.0000175628 0.0000379370
|
|
5 0.0000040100 -0.0000100482
|
|
6 0.0422230715 -0.0915130438
|
|
7 -0.0000019979 0.0000042619
|
|
8 -0.0001690229 0.0003664008
|
|
9 -0.0000004806 0.0000009191
|
|
10 -0.0000006489 -0.0000000101
|
|
|
|
orbital 1 4 32 36.0811016342 0.0000000000
|
|
1 0.0987779466 0.0200196503
|
|
2 -0.0000052491 -0.0000010729
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|
3 0.0003981829 0.0000807146
|
|
4 -0.0000025467 -0.0000005294
|
|
5 -0.0000000062 0.0000002094
|
|
6 0.0007080071 0.0001435619
|
|
7 -0.0000252853 -0.0000051021
|
|
8 0.0558733678 0.0113240387
|
|
9 -0.0000433882 -0.0000087880
|
|
10 0.0000026228 0.0000005914
|
|
|
|
orbital 1 5 1 -31.6341817810 1.0000000000
|
|
1 0.0000000635 -0.0000001153
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|
2 -0.0000001504 -0.0000003779
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|
3 -0.0000251988 -0.0000633955
|
|
4 -0.0000007260 -0.0000018004
|
|
5 -0.0000001611 -0.0000003666
|
|
6 -0.0000003944 -0.0000007640
|
|
7 0.0000631219 0.0001586665
|
|
8 -0.0664546130 -0.1669159913
|
|
9 0.0002486075 0.0006245433
|
|
10 0.0000003851 0.0000009596
|
|
|
|
orbital 1 5 2 -31.6335020380 1.0000000000
|
|
1 0.0000006291 0.0000003777
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|
2 -0.0002188745 -0.0002223164
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|
3 0.1260396632 0.1280249159
|
|
4 -0.0005096340 -0.0005176911
|
|
5 0.0000000923 0.0000000648
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|
6 0.0000001274 -0.0000001949
|
|
7 -0.0000006888 -0.0000007586
|
|
8 -0.0000477219 -0.0000485565
|
|
9 -0.0000011093 -0.0000010762
|
|
10 -0.0000002856 -0.0000002762
|
|
|
|
orbital 1 5 3 -31.4490305503 1.0000000000
|
|
1 0.0000006792 0.0000003018
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|
2 0.0000850374 0.0000656290
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|
3 0.0000016005 0.0000012440
|
|
4 0.0000076756 0.0000059260
|
|
5 0.0000001792 0.0000001281
|
|
6 0.0000015778 0.0000010124
|
|
7 0.0760966775 0.0583837197
|
|
8 0.0003349043 0.0002569991
|
|
9 0.0066146305 0.0050749761
|
|
10 0.0000000465 0.0000000234
|
|
|
|
orbital 1 5 4 -31.4489253791 1.0000000000
|
|
1 -0.0000012777 0.0000018125
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|
2 -0.0576637973 0.0766378319
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|
3 -0.0004184432 0.0005561318
|
|
4 -0.0050478058 0.0067086819
|
|
5 -0.0000001435 0.0000001973
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|
6 0.0000003467 -0.0000003321
|
|
7 0.0000643059 -0.0000860012
|
|
8 0.0000004538 -0.0000005780
|
|
9 0.0000061050 -0.0000081545
|
|
10 0.0000000382 -0.0000000684
|
|
|
|
orbital 1 5 5 -31.4481741336 1.0000000000
|
|
1 0.0000010265 -0.0000001048
|
|
2 -0.0082401685 0.0016319837
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|
3 0.0012770657 -0.0002529101
|
|
4 0.0940815273 -0.0186325729
|
|
5 -0.0000005120 0.0000001074
|
|
6 -0.0000002187 0.0000001524
|
|
7 -0.0000024854 0.0000005493
|
|
8 -0.0000014371 0.0000003147
|
|
9 0.0000255710 -0.0000050544
|
|
10 0.0000004721 -0.0000000668
|
|
|
|
orbital 1 5 6 -31.4476795539 1.0000000000
|
|
1 -0.0000002653 0.0000001131
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|
2 -0.0000031360 -0.0000001117
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|
3 -0.0000007489 -0.0000000483
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|
4 0.0000259710 0.0000012196
|
|
5 0.0000004443 0.0000000250
|
|
6 -0.0000008638 -0.0000000423
|
|
7 0.0083309469 0.0003998168
|
|
8 -0.0012225100 -0.0000587382
|
|
9 -0.0958037873 -0.0045984094
|
|
10 0.0000004590 0.0000000045
|
|
|
|
orbital 1 5 7 3.0145231311 1.0000000000
|
|
1 0.0000000047 -0.0000000086
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|
2 -0.0000009777 0.0000066088
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|
3 -0.0005069738 0.0034331607
|
|
4 -0.0000036537 0.0000247404
|
|
5 -0.0000027103 0.0000183481
|
|
6 -0.0000003851 0.0000025960
|
|
7 0.0000063638 -0.0000430978
|
|
8 -0.1328729905 0.8997983460
|
|
9 0.0000064186 -0.0000434615
|
|
10 0.0000235730 -0.0001596293
|
|
|
|
orbital 1 5 8 3.0151538074 1.0000000000
|
|
1 0.0000002184 0.0000001770
|
|
2 0.0000448124 0.0000377020
|
|
3 -0.6960078247 -0.5855716127
|
|
4 0.0000373560 0.0000314292
|
|
5 -0.0000138980 -0.0000116924
|
|
6 0.0000000109 0.0000000040
|
|
7 0.0000089336 0.0000075155
|
|
8 0.0026557691 0.0022343703
|
|
9 0.0000166940 0.0000140428
|
|
10 0.0000137182 0.0000115423
|
|
|
|
orbital 1 5 9 5.3193896787 1.0000000000
|
|
1 0.0000001488 0.0000001286
|
|
2 -0.0000077134 -0.0000068731
|
|
3 0.0000147989 0.0000131847
|
|
4 0.0000205828 0.0000183201
|
|
5 -0.0038857984 -0.0034600810
|
|
6 -0.0000203054 -0.0000180735
|
|
7 -0.0001429394 -0.0001272775
|
|
8 0.0001324504 0.0001179565
|
|
9 0.0003289276 0.0002928925
|
|
10 0.7262578472 0.6466904896
|
|
|
|
orbital 1 5 10 5.3197906306 1.0000000000
|
|
1 0.0000015677 0.0000267583
|
|
2 0.0000055363 0.0000940287
|
|
3 -0.0000006119 -0.0000104158
|
|
4 -0.0000238232 -0.0004046729
|
|
5 -0.0571479669 -0.9707703960
|
|
6 0.0000000105 0.0000001893
|
|
7 -0.0000006647 -0.0000113086
|
|
8 0.0000011066 0.0000188318
|
|
9 0.0000015484 0.0000263336
|
|
10 -0.0003057722 -0.0051940968
|
|
|
|
orbital 1 5 11 6.7373178710 0.5060070345
|
|
1 -0.0003895166 -0.0007255291
|
|
2 -0.4368785724 -0.8137518021
|
|
3 -0.0000231421 -0.0000431128
|
|
4 0.1314049312 0.2447613789
|
|
5 -0.0000974377 -0.0001814899
|
|
6 0.0000075019 0.0000139770
|
|
7 -0.0013425296 -0.0025006624
|
|
8 -0.0000004829 -0.0000009055
|
|
9 0.0006165406 0.0011484052
|
|
10 -0.0000099394 -0.0000185105
|
|
|
|
orbital 1 5 12 6.7378712088 0.5050082666
|
|
1 0.0000009357 0.0000002590
|
|
2 -0.0035996259 -0.0009567942
|
|
3 -0.0000037567 -0.0000009941
|
|
4 -0.0016890851 -0.0004489675
|
|
5 -0.0000268968 -0.0000071507
|
|
6 0.0004986822 0.0001325529
|
|
7 0.7549726009 0.2006744981
|
|
8 0.0000004929 0.0000001313
|
|
9 -0.5466765755 -0.1453086409
|
|
10 0.0003971086 0.0001055545
|
|
|
|
orbital 1 5 13 6.7381497945 0.0603073966
|
|
1 0.0006537021 0.0002152708
|
|
2 0.2638512459 0.0868902165
|
|
3 0.0001230891 0.0000405392
|
|
4 0.8772472559 0.2888908110
|
|
5 -0.0003401375 -0.0001120117
|
|
6 0.0000001363 0.0000000482
|
|
7 0.0058788360 0.0019359910
|
|
8 -0.0000262158 -0.0000086322
|
|
9 0.0036709443 0.0012088967
|
|
10 -0.0000257790 -0.0000084919
|
|
|
|
orbital 1 5 14 6.7384134561 0.0600946839
|
|
1 -0.0000101451 0.0000066211
|
|
2 0.0021186850 -0.0013832642
|
|
3 -0.0000218248 0.0000142508
|
|
4 0.0052740035 -0.0034433279
|
|
5 -0.0000160706 0.0000104919
|
|
6 -0.0008807408 0.0005750170
|
|
7 -0.4736292154 0.3092269095
|
|
8 -0.0001125880 0.0000735030
|
|
9 -0.6541171098 0.4270653204
|
|
10 0.0002026877 -0.0001323341
|
|
|
|
orbital 1 5 15 7.8577918374 0.0000000000
|
|
1 -0.0002691595 0.0018960125
|
|
2 -0.0000026129 0.0000184072
|
|
3 0.0000000192 -0.0000001340
|
|
4 -0.0000003369 0.0000023585
|
|
5 -0.0000000145 0.0000001099
|
|
6 -0.1361287081 0.9589264867
|
|
7 0.0001450830 -0.0010219987
|
|
8 0.0000074190 -0.0000522514
|
|
9 0.0000772824 -0.0005444200
|
|
10 -0.0000039625 0.0000279009
|
|
|
|
orbital 1 5 16 7.8582102568 0.0000000000
|
|
1 0.0740676945 -0.9657055547
|
|
2 -0.0000753178 0.0009820070
|
|
3 -0.0000043039 0.0000561412
|
|
4 -0.0000324346 0.0004228766
|
|
5 0.0000021276 -0.0000277437
|
|
6 -0.0001464565 0.0019094286
|
|
7 -0.0000010116 0.0000131589
|
|
8 0.0000000045 -0.0000001074
|
|
9 -0.0000007738 0.0000101122
|
|
10 -0.0000000077 0.0000001077
|
|
|
|
orbital 1 5 17 9.5366195245 0.0000000000
|
|
1 -0.0001743620 0.0000378784
|
|
2 0.0000905192 -0.0000196644
|
|
3 -0.3118967329 0.0677563863
|
|
4 0.0001878207 -0.0000408021
|
|
5 0.0000706005 -0.0000153372
|
|
6 -0.0000006677 0.0000001451
|
|
7 0.0000041415 -0.0000008997
|
|
8 -0.0013669165 0.0002969487
|
|
9 0.0000055436 -0.0000012043
|
|
10 0.0000068998 -0.0000014989
|
|
|
|
orbital 1 5 18 9.5371369667 0.0000000000
|
|
1 -0.0000000405 0.0000007533
|
|
2 0.0000000641 -0.0000011918
|
|
3 -0.0000750383 0.0013956646
|
|
4 0.0000004017 -0.0000074721
|
|
5 0.0000003814 -0.0000070932
|
|
6 0.0000085874 -0.0001597202
|
|
7 -0.0000063826 0.0001187114
|
|
8 0.0171378527 -0.3187530648
|
|
9 -0.0000108384 0.0002015865
|
|
10 -0.0000035042 0.0000651757
|
|
|
|
orbital 1 5 19 23.3812081897 0.0000000000
|
|
1 0.0000000143 0.0000000295
|
|
2 -0.0000070077 -0.0000144170
|
|
3 0.0000003052 0.0000006279
|
|
4 0.0000202589 0.0000416787
|
|
5 -0.0008671393 -0.0017839631
|
|
6 -0.0000003641 -0.0000007491
|
|
7 -0.0000145566 -0.0000299473
|
|
8 -0.0000077600 -0.0000159647
|
|
9 0.0000394374 0.0000811344
|
|
10 0.0670888994 0.1380217879
|
|
|
|
orbital 1 5 20 23.3815798710 0.0000000000
|
|
1 0.0000005024 0.0000005942
|
|
2 0.0000043883 0.0000051904
|
|
3 0.0000072162 0.0000085353
|
|
4 -0.0000523745 -0.0000619486
|
|
5 -0.0990770099 -0.1171883410
|
|
6 0.0000000198 0.0000000234
|
|
7 -0.0000125337 -0.0000148248
|
|
8 0.0000005227 0.0000006183
|
|
9 0.0000282774 0.0000334465
|
|
10 -0.0012804442 -0.0015145101
|
|
|
|
orbital 1 5 21 23.7213717157 0.0000000000
|
|
1 -0.0000006731 -0.0000002458
|
|
2 -0.1203108121 -0.0439387038
|
|
3 0.0000045552 0.0000016636
|
|
4 -0.0426623201 -0.0155807031
|
|
5 0.0000277841 0.0000101470
|
|
6 0.0000052903 0.0000019321
|
|
7 -0.0002985627 -0.0001090380
|
|
8 -0.0000099097 -0.0000036191
|
|
9 -0.0001277530 -0.0000466567
|
|
10 0.0000007947 0.0000002902
|
|
|
|
orbital 1 5 22 23.7219395657 0.0000000000
|
|
1 0.0000046119 -0.0000028451
|
|
2 -0.0386574236 0.0238477453
|
|
3 -0.0000033712 0.0000020797
|
|
4 0.1090178480 -0.0672530561
|
|
5 -0.0001087504 0.0000670880
|
|
6 0.0000005718 -0.0000003528
|
|
7 0.0000881287 -0.0000543665
|
|
8 0.0000111994 -0.0000069089
|
|
9 0.0004982572 -0.0003073746
|
|
10 -0.0000402323 0.0000248193
|
|
|
|
orbital 1 5 23 23.7220628259 0.0000000000
|
|
1 0.0000044237 -0.0000028381
|
|
2 -0.0001688974 0.0001083585
|
|
3 -0.0000109721 0.0000070393
|
|
4 -0.0003898467 0.0002501117
|
|
5 0.0000033366 -0.0000021406
|
|
6 -0.0000017104 0.0000010973
|
|
7 0.1006119096 -0.0645489915
|
|
8 -0.0000036284 0.0000023279
|
|
9 0.0543914219 -0.0348955848
|
|
10 -0.0000176195 0.0000113040
|
|
|
|
orbital 1 5 24 23.7225030894 0.0000000000
|
|
1 -0.0000002844 -0.0000001032
|
|
2 -0.0001741014 -0.0000631845
|
|
3 0.0000095089 0.0000034509
|
|
4 0.0004024286 0.0001460485
|
|
5 -0.0000433033 -0.0000157155
|
|
6 -0.0000018949 -0.0000006877
|
|
7 0.0607459307 0.0220457771
|
|
8 0.0000031653 0.0000011487
|
|
9 -0.1123782399 -0.0407840591
|
|
10 0.0001430668 0.0000519215
|
|
|
|
orbital 1 5 25 24.8514758587 0.0000000000
|
|
1 -0.0000000042 0.0000000053
|
|
2 -0.0000028289 0.0000035483
|
|
3 -0.0000117770 0.0000147718
|
|
4 -0.0000071155 0.0000089250
|
|
5 0.0000031615 -0.0000039654
|
|
6 -0.0000067494 0.0000084657
|
|
7 0.0000006033 -0.0000007567
|
|
8 0.0415990494 -0.0521772371
|
|
9 -0.0000140713 0.0000176495
|
|
10 -0.0000013980 0.0000017535
|
|
|
|
orbital 1 5 26 24.8522765687 0.0000000000
|
|
1 0.0000068384 0.0000077592
|
|
2 -0.0000051412 -0.0000058335
|
|
3 -0.0441117179 -0.0500514514
|
|
4 0.0000134710 0.0000152849
|
|
5 -0.0000040429 -0.0000045873
|
|
6 -0.0000000039 -0.0000000045
|
|
7 -0.0000028725 -0.0000032593
|
|
8 -0.0000122367 -0.0000138844
|
|
9 -0.0000075655 -0.0000085842
|
|
10 0.0000033363 0.0000037855
|
|
|
|
orbital 1 5 27 36.0806242085 0.0000000000
|
|
1 -0.0000041248 0.0000105175
|
|
2 0.0000061364 -0.0000154968
|
|
3 0.0282492224 -0.0712846301
|
|
4 0.0000122106 -0.0000308093
|
|
5 -0.0000047997 0.0000121188
|
|
6 0.0000002757 -0.0000000220
|
|
7 0.0000000698 -0.0000002038
|
|
8 0.0000009459 -0.0000023083
|
|
9 0.0000002618 -0.0000006241
|
|
10 -0.0000000132 0.0000000318
|
|
|
|
orbital 1 5 28 36.0807183615 0.0000000000
|
|
1 0.0000001528 0.0000000929
|
|
2 0.0000002782 0.0000001521
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|
3 0.0000021838 0.0000011551
|
|
4 0.0000005349 0.0000003023
|
|
5 -0.0000000269 -0.0000000096
|
|
6 0.0000101752 0.0000055020
|
|
7 -0.0000191203 -0.0000105664
|
|
8 -0.0670996917 -0.0370935369
|
|
9 -0.0000307448 -0.0000169968
|
|
10 0.0000035086 0.0000019359
|
|
|
|
orbital 1 5 29 37.1334550447 0.0000000000
|
|
1 0.0000188940 -0.0000136231
|
|
2 0.0141697561 -0.0084297714
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|
3 -0.0000087362 0.0000053838
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|
4 -0.0342234947 0.0203582265
|
|
5 -0.0000005014 0.0000002575
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|
6 -0.0000088824 -0.0000011316
|
|
7 -0.0004668315 0.0002771605
|
|
8 -0.0000034333 0.0000016705
|
|
9 0.0004724551 -0.0002810955
|
|
10 -0.0000002401 0.0000001431
|
|
|
|
orbital 1 5 30 37.1336767106 0.0000000000
|
|
1 0.0000021230 -0.0000053461
|
|
2 0.0000209073 0.0004065079
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|
3 0.0000000757 -0.0000000686
|
|
4 0.0000503447 0.0009592057
|
|
5 -0.0000000045 -0.0000003025
|
|
6 0.0000107094 0.0000820166
|
|
7 -0.0019994595 -0.0384587717
|
|
8 0.0000004530 0.0000013108
|
|
9 0.0010030553 0.0192940416
|
|
10 0.0000000454 0.0000007867
|
|
|
|
orbital 1 5 31 37.1338013773 0.0000000000
|
|
1 0.0000625179 0.0001356516
|
|
2 -0.0159038453 -0.0365014219
|
|
3 -0.0000039996 -0.0000088252
|
|
4 -0.0065778101 -0.0150987076
|
|
5 0.0000003014 0.0000006770
|
|
6 0.0000174163 0.0000074272
|
|
7 -0.0001029356 -0.0002357496
|
|
8 -0.0000002602 -0.0000024979
|
|
9 0.0004569888 0.0010492291
|
|
10 -0.0000001500 -0.0000002798
|
|
|
|
orbital 1 5 32 37.1339742250 0.0000000000
|
|
1 0.0000011128 -0.0000008755
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|
2 0.0002531614 0.0006993380
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|
3 -0.0000012589 -0.0000044695
|
|
4 0.0001956206 0.0005414142
|
|
5 0.0000000175 0.0000000089
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|
6 -0.0000493884 -0.0001142315
|
|
7 0.0065762424 0.0181835644
|
|
8 0.0000048992 0.0000140554
|
|
9 0.0130970649 0.0362144953
|
|
10 -0.0000000061 -0.0000001432
|
|
|
|
orbital 1 6 1 -32.0657978513 1.0000000000
|
|
1 0.0000002311 0.0000000809
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|
2 -0.0000002424 -0.0000000877
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|
3 -0.0000005655 -0.0000002543
|
|
4 -0.0000009272 -0.0000003598
|
|
5 -0.0000006861 -0.0000002393
|
|
6 -0.0000002457 -0.0000000870
|
|
7 0.0000002352 0.0000000878
|
|
8 0.0000006151 0.0000002055
|
|
9 0.0000008203 0.0000003265
|
|
10 0.0000007949 0.0000003052
|
|
|
|
orbital 1 6 2 -32.0630479970 1.0000000000
|
|
1 0.0000002797 -0.0000001092
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|
2 0.0000001856 -0.0000000756
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|
3 -0.0000004388 0.0000001745
|
|
4 0.0000003550 -0.0000001358
|
|
5 -0.0000002175 0.0000000645
|
|
6 0.0000001984 -0.0000000622
|
|
7 0.0000002904 -0.0000001027
|
|
8 -0.0000003966 0.0000001236
|
|
9 0.0000003233 -0.0000001215
|
|
10 -0.0000001805 0.0000000698
|
|
|
|
orbital 1 6 3 -31.4317811460 1.0000000000
|
|
1 0.0000004171 -0.0000005150
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|
2 0.0000001557 -0.0000001934
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|
3 -0.0000001089 0.0000001689
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|
4 0.0000000083 -0.0000000280
|
|
5 0.0000000524 -0.0000000735
|
|
6 -0.0000000417 0.0000000350
|
|
7 0.0000000808 -0.0000000846
|
|
8 0.0000000377 -0.0000000910
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|
9 0.0000001062 -0.0000001022
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|
10 -0.0000000272 0.0000000461
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|
|
|
orbital 1 6 4 -31.4316687315 1.0000000000
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|
1 -0.0000002307 -0.0000000200
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|
2 -0.0000002923 -0.0000000199
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|
3 0.0000000495 0.0000000193
|
|
4 0.0000001303 0.0000000029
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|
5 -0.0000000222 -0.0000000058
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|
6 -0.0000006987 -0.0000000550
|
|
7 -0.0000003222 -0.0000000239
|
|
8 0.0000001603 0.0000000115
|
|
9 -0.0000000217 0.0000000044
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|
10 -0.0000001033 -0.0000000053
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|
|
|
orbital 1 6 5 -31.1502247324 1.0000000000
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|
1 0.0000000658 -0.0000000118
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|
2 -0.0000001186 0.0000000169
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|
3 -0.0000001142 0.0000000217
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|
4 -0.0000004650 0.0000001200
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|
5 -0.0000000498 0.0000000185
|
|
6 0.0000001108 -0.0000000175
|
|
7 -0.0000000565 0.0000000142
|
|
8 -0.0000000896 0.0000000276
|
|
9 -0.0000004288 0.0000000957
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|
10 -0.0000000971 0.0000000217
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|
|
|
orbital 1 6 6 -31.1474670420 1.0000000000
|
|
1 0.0000000610 0.0000000390
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|
2 0.0000000739 0.0000000558
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|
3 -0.0000001671 -0.0000001511
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|
4 0.0000000778 0.0000000546
|
|
5 0.0000000717 0.0000000679
|
|
6 -0.0000000838 -0.0000000575
|
|
7 -0.0000000497 -0.0000000459
|
|
8 0.0000001586 0.0000000329
|
|
9 -0.0000002365 -0.0000001676
|
|
10 -0.0000000298 0.0000000141
|
|
|
|
orbital 1 6 7 2.6979419796 1.0000000000
|
|
1 0.0000439213 0.0001344972
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|
2 -0.0000488425 -0.0001495656
|
|
3 0.1005859700 0.3080188893
|
|
4 0.1853822842 0.5676859938
|
|
5 0.1561847515 0.4782759880
|
|
6 -0.0000506882 -0.0001552220
|
|
7 0.0000467117 0.0001430441
|
|
8 -0.0913037578 -0.2795944860
|
|
9 -0.2042281233 -0.6253965656
|
|
10 -0.1417753936 -0.4341510052
|
|
|
|
orbital 1 6 8 2.6981525980 1.0000000000
|
|
1 -0.0000225646 0.0000927818
|
|
2 -0.0000160063 0.0000658136
|
|
3 0.0694992370 -0.2857755706
|
|
4 -0.1554767022 0.6393083356
|
|
5 0.1079115107 -0.4437239021
|
|
6 -0.0000224764 0.0000924232
|
|
7 -0.0000180611 0.0000742664
|
|
8 0.0765620687 -0.3148173941
|
|
9 -0.1411300832 0.5803161496
|
|
10 0.1188808972 -0.4888291802
|
|
|
|
orbital 1 6 9 4.7328390888 1.0000000000
|
|
1 0.4318109836 0.1449510510
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|
2 0.5691781051 0.1910626811
|
|
3 0.0000675793 0.0000226845
|
|
4 -0.0000757796 -0.0000254375
|
|
5 0.0001001943 0.0000336334
|
|
6 0.5692665642 0.1910923755
|
|
7 0.4317399999 0.1449272221
|
|
8 0.0000344655 0.0000115695
|
|
9 -0.0001131777 -0.0000379922
|
|
10 0.0000332887 0.0000111744
|
|
|
|
orbital 1 6 10 4.7352452938 1.0000000000
|
|
1 -0.5984096961 0.0499824546
|
|
2 0.4538410216 -0.0379072867
|
|
3 0.0001532628 -0.0000128005
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|
4 0.0001553380 -0.0000129744
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5 0.0001685001 -0.0000140744
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6 0.4539035278 -0.0379125083
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7 -0.5983005842 0.0499733409
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8 -0.0001657737 0.0000138477
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|
9 -0.0001298363 0.0000108447
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10 -0.0001567103 0.0000130888
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|
|
orbital 1 6 11 7.6128136419 0.0141013161
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|
1 -0.0000061858 -0.0000002493
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2 0.0000113838 0.0000004589
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3 0.0000078166 0.0000003152
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4 0.0000300467 0.0000012112
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5 0.0000040313 0.0000001624
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6 0.0000112965 0.0000004552
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7 -0.0000061804 -0.0000002488
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8 0.0000131498 0.0000005303
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9 -0.0000202253 -0.0000008151
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10 -0.0000206431 -0.0000008321
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|
|
|
orbital 1 6 12 7.6142858216 0.0133329380
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|
1 0.0000050898 -0.0000176578
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2 0.0000010479 -0.0000036356
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3 0.0000056142 -0.0000194766
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4 -0.0000009123 0.0000031646
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5 -0.0000033495 0.0000116194
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6 0.0000010473 -0.0000036330
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7 0.0000050699 -0.0000175872
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8 0.0000035829 -0.0000124291
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9 0.0000067079 -0.0000232705
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10 -0.0000028881 0.0000100191
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|
|
orbital 1 6 13 8.3147816781 -0.0340447928
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1 0.0000278124 -0.0000627020
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2 -0.0000252936 0.0000570220
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3 0.1054638874 -0.2377641847
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|
4 0.1147109983 -0.2586114319
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5 0.1642538788 -0.3703039041
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6 0.0000200885 -0.0000452880
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7 -0.0000164281 0.0000370361
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8 0.1030795283 -0.2323887407
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9 0.1170525296 -0.2638903199
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10 0.1611128763 -0.3632226385
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|
|
orbital 1 6 14 8.3164596152 -0.0339704244
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1 0.0000161538 -0.0000041563
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2 0.0001491762 -0.0000383788
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3 -0.2468918002 0.0635178274
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|
4 0.2796558250 -0.0719470250
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5 -0.3843719416 0.0988873283
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6 -0.0000034714 0.0000008933
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7 -0.0001364230 0.0000350978
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8 0.2512614789 -0.0646420144
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9 -0.2740787308 0.0705122063
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10 0.3925729015 -0.1009971885
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|
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orbital 1 6 15 8.6774602211 0.0000000000
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1 0.0000017318 -0.0000210611
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2 0.0000002303 -0.0000028009
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3 0.0603775430 -0.7341761109
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4 -0.0000223198 0.0002714031
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5 -0.0311825959 0.3791727169
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6 -0.0000047223 0.0000574219
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7 0.0000045228 -0.0000549935
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8 -0.0229579500 0.2791630685
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9 0.0000270092 -0.0003284253
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10 0.0118323396 -0.1438783629
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|
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orbital 1 6 16 8.6775687588 0.0000000000
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1 0.0000311164 -0.0001538735
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3 -0.0554958016 0.2744293803
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|
4 -0.0001605687 0.0007940225
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5 0.0286521945 -0.1416864655
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6 0.0000104342 -0.0000515970
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7 -0.0000187269 0.0000926079
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8 -0.1460996397 0.7224696950
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|
9 -0.0000317625 0.0001570667
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10 0.0752738129 -0.3722325988
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|
|
orbital 1 6 17 10.0178961654 0.0000000000
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1 -0.0284437865 0.3874704240
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2 -0.0349897631 0.4766418287
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3 -0.0000033266 0.0000453160
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4 0.0000030851 -0.0000420257
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5 -0.0000054470 0.0000742003
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6 0.0349819593 -0.4765355229
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7 0.0284505272 -0.3875622471
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8 0.0000003881 -0.0000052867
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9 -0.0000043886 0.0000597828
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10 0.0000067554 -0.0000920240
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|
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orbital 1 6 18 10.0202461044 0.0000000000
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1 -0.1796372591 0.4427557792
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2 0.1460974057 -0.3600893885
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3 -0.0000326385 0.0000804448
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4 0.0000221786 -0.0000546641
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5 0.0000285621 -0.0000703975
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6 -0.1460685488 0.3600182642
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7 0.1796843677 -0.4428718887
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8 -0.0000460455 0.0001134892
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|
9 0.0000219343 -0.0000540620
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10 0.0000459827 -0.0001133347
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|
|
orbital 1 6 19 16.1559772758 0.0000000000
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1 -0.0000001881 -0.0000007831
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2 -0.0000047618 -0.0000198258
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3 -0.0033211368 -0.0138275338
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|
4 -0.0025458808 -0.0105997601
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|
5 -0.0051555595 -0.0214651423
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6 0.0000028791 0.0000119870
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7 0.0000028079 0.0000116908
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8 0.0033030490 0.0137522258
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|
9 0.0025541167 0.0106340501
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10 0.0051418031 0.0214078680
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|
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orbital 1 6 20 16.1564873443 0.0000000000
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1 -0.0000193398 0.0000188786
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2 0.0000253567 -0.0000247520
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3 0.0101146740 -0.0098734713
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4 -0.0077836718 0.0075980560
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5 0.0156977199 -0.0153233794
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6 -0.0000264322 0.0000258018
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7 0.0000221999 -0.0000216705
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8 0.0101271626 -0.0098856621
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|
9 -0.0077528159 0.0075679360
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10 0.0157611716 -0.0153853179
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|
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orbital 1 6 21 22.2147968216 0.0000000000
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1 -0.0000000106 0.0000000028
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2 0.0000000231 -0.0000000062
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3 -0.0000023064 0.0000006192
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4 0.0000097328 -0.0000026129
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5 -0.0000038165 0.0000010246
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6 -0.0000000087 0.0000000023
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7 0.0000000375 -0.0000000101
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|
8 -0.0000048648 0.0000013060
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|
9 0.0000061774 -0.0000016584
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10 -0.0000053858 0.0000014459
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|
|
orbital 1 6 22 22.2160589227 0.0000000000
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1 -0.0000000690 -0.0000000463
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2 0.0000000056 0.0000000038
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3 -0.0000034812 -0.0000023367
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|
4 0.0000007564 0.0000005077
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|
5 -0.0000027870 -0.0000018708
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6 0.0000000126 0.0000000084
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7 0.0000000734 0.0000000492
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8 0.0000005997 0.0000004025
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|
9 0.0000060976 0.0000040929
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10 -0.0000007326 -0.0000004917
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|
|
orbital 1 6 23 26.0822743916 0.0000000000
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1 0.0000001434 -0.0000031892
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2 -0.0000000105 0.0000002346
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3 -0.0000000661 0.0000014699
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|
4 0.0000000151 -0.0000003349
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5 0.0000000203 -0.0000004505
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6 -0.0000001629 0.0000036221
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|
7 0.0000000129 -0.0000002863
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8 0.0000000524 -0.0000011655
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|
9 0.0000000162 -0.0000003597
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10 -0.0000000389 0.0000008662
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|
|
|
orbital 1 6 24 26.0842667533 0.0000000000
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|
1 0.0000019259 -0.0000041722
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2 0.0000018981 -0.0000041121
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3 -0.0000006011 0.0000013021
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|
4 -0.0000001478 0.0000003202
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|
5 0.0000001972 -0.0000004271
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6 0.0000024882 -0.0000053904
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7 0.0000014373 -0.0000031138
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8 -0.0000005069 0.0000010981
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9 0.0000001443 -0.0000003126
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10 0.0000003881 -0.0000008408
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|
|
orbital 1 6 25 29.1619076336 0.0000000000
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|
1 -0.0036045456 0.0389753590
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2 -0.0102376605 0.1106981401
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3 0.0000000503 -0.0000005438
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4 -0.0000000757 0.0000008184
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5 0.0000000022 -0.0000000237
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6 -0.0102356592 0.1106765001
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7 -0.0036052255 0.0389827109
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|
8 0.0000002625 -0.0000028383
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|
9 -0.0000002924 0.0000031623
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10 0.0000000183 -0.0000001981
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|
|
orbital 1 6 26 29.1633173234 0.0000000000
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1 0.1005715179 0.0473040180
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2 -0.0354355991 -0.0166672062
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3 -0.0000018513 -0.0000008707
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4 0.0000067342 0.0000031674
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5 -0.0000009145 -0.0000004301
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6 -0.0354299141 -0.0166645322
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7 0.1005929087 0.0473140792
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8 -0.0000001369 -0.0000000644
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|
9 -0.0000021880 -0.0000010292
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10 0.0000023108 0.0000010869
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|
|
orbital 1 6 27 32.7665138697 0.0000000000
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|
1 -0.0000075657 0.0000060066
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2 0.0000087323 -0.0000069325
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3 0.0502790232 -0.0399161611
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|
4 0.0283878056 -0.0225368770
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|
5 0.0780426854 -0.0619575338
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6 0.0000075771 -0.0000060155
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|
7 -0.0000080006 0.0000063518
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|
8 -0.0411994561 0.0327079560
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|
9 -0.0346389903 0.0274996486
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|
10 -0.0639579332 0.0507757485
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|
|
orbital 1 6 28 32.7667694773 0.0000000000
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|
1 -0.0000011854 -0.0000045207
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2 0.0000017098 0.0000065209
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3 0.0133406351 0.0508832286
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|
4 -0.0112131443 -0.0427686550
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|
5 0.0207066352 0.0789782876
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6 -0.0000015356 -0.0000058571
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7 0.0000023357 0.0000089090
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8 0.0162783509 0.0620881311
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|
9 -0.0091882470 -0.0350453853
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|
10 0.0252697673 0.0963827750
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|
|
orbital 1 6 29 36.0604266643 0.0000000000
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1 0.0000004776 0.0000002411
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2 -0.0000002675 -0.0000001295
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3 -0.0000075936 -0.0000039035
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|
4 -0.0000261256 -0.0000138133
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5 -0.0000106929 -0.0000057463
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6 -0.0000002679 -0.0000001344
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|
7 0.0000004516 0.0000002352
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|
8 0.0000074967 0.0000040410
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|
9 0.0000248284 0.0000131880
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10 0.0000113958 0.0000060194
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|
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orbital 1 6 30 36.0617827980 0.0000000000
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1 0.0000001600 -0.0000006220
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2 0.0000000297 -0.0000002110
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3 -0.0000015345 0.0000061105
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|
4 0.0000014453 -0.0000064005
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5 -0.0000017373 0.0000081682
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6 0.0000000374 -0.0000002119
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7 0.0000001373 -0.0000006155
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8 -0.0000004846 0.0000022973
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9 0.0000041561 -0.0000186792
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10 -0.0000005615 0.0000024666
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|
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orbital 1 6 31 36.0809979351 0.0000000000
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1 0.0000013431 -0.0000062963
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2 -0.0000040428 0.0000186906
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3 -0.0070069599 0.0325297897
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|
4 -0.0001300026 0.0006042593
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5 -0.0108812961 0.0505173207
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6 -0.0000002787 0.0000014362
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7 0.0000000753 -0.0000004103
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|
8 0.0000415120 -0.0001929683
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9 0.0212202821 -0.0985164535
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10 0.0000644670 -0.0002997362
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|
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orbital 1 6 32 36.0810920713 0.0000000000
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1 -0.0000022569 -0.0000003525
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2 0.0000002940 0.0000000698
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3 -0.0001927426 -0.0000288631
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|
4 0.0996829098 0.0147985788
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5 -0.0002989319 -0.0000444079
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6 0.0000076236 0.0000011521
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7 -0.0000254919 -0.0000037688
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|
8 -0.0329026110 -0.0048844749
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|
9 0.0005619677 0.0000836358
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|
10 -0.0511219826 -0.0075894313
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|
|
orbital 1 7 1 -32.0654024148 1.0000000000
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1 0.0000002879 0.0000004488
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2 0.0000000392 0.0000000495
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3 -0.0000000495 -0.0000001237
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4 -0.0000003999 -0.0000006557
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5 -0.0000000345 -0.0000000630
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6 -0.0000004033 -0.0000006485
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7 0.0000000289 0.0000000121
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|
8 0.0000001104 0.0000000607
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9 0.0000002696 0.0000004428
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10 0.0000000861 0.0000000964
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orbital 1 7 2 -32.0644200820 1.0000000000
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1 -0.0000005769 0.0000004297
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2 -0.0000003985 0.0000003043
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3 0.0000002334 -0.0000001978
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4 -0.0000004420 0.0000003313
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5 -0.0000004483 0.0000003220
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6 -0.0000004478 0.0000003378
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7 -0.0000004762 0.0000003785
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8 0.0000002394 -0.0000001716
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9 -0.0000005645 0.0000004275
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10 -0.0000003537 0.0000002695
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orbital 1 7 3 -31.4309446974 1.0000000000
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1 0.0000001051 0.0000000291
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2 -0.0000000771 -0.0000000293
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3 0.0000000117 0.0000000301
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|
4 -0.0000000615 -0.0000000242
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5 0.0000000030 0.0000000134
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6 -0.0000002555 -0.0000000856
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7 -0.0000000029 -0.0000000007
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8 0.0000005197 0.0000001612
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9 0.0000003005 0.0000000999
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10 0.0000002396 0.0000000704
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|
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orbital 1 7 4 -31.4304521416 1.0000000000
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1 0.0000001209 0.0000002348
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2 0.0000000103 -0.0000000025
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3 -0.0000002647 -0.0000004300
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|
4 -0.0000001343 -0.0000002602
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5 -0.0000001430 -0.0000002405
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6 -0.0000000304 -0.0000000521
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7 -0.0000000405 -0.0000000705
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8 -0.0000000188 -0.0000000195
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9 0.0000000491 0.0000000875
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10 -0.0000000070 -0.0000000104
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orbital 1 7 5 -31.1498344825 1.0000000000
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1 0.0000000281 -0.0000001944
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3 -0.0000000639 0.0000000795
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|
4 -0.0000000378 0.0000002472
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5 -0.0000000373 0.0000000104
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6 0.0000000267 -0.0000002362
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7 0.0000000275 -0.0000001067
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8 0.0000000450 0.0000000308
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9 -0.0000000164 0.0000001933
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10 0.0000000203 0.0000000823
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orbital 1 7 6 -31.1488913638 1.0000000000
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1 -0.0000000451 0.0000002560
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2 -0.0000000756 0.0000003023
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3 -0.0000000166 -0.0000000085
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|
4 -0.0000000223 0.0000001687
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5 -0.0000000229 0.0000001096
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6 0.0000000314 -0.0000001643
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7 0.0000000280 -0.0000002175
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8 -0.0000000438 0.0000000630
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9 0.0000000404 -0.0000002503
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10 -0.0000000062 -0.0000000204
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|
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orbital 1 7 7 2.6971827383 1.0000000000
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1 -0.0001981267 -0.0002551371
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2 -0.5420657202 -0.6980415945
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3 0.0277315291 0.0357110954
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|
4 0.0000243473 0.0000313521
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|
5 -0.0430623802 -0.0554532996
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|
6 0.0000159625 0.0000205561
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|
7 -0.0563324954 -0.0725418032
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|
8 0.2669326637 0.3437407979
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9 -0.0001706307 -0.0002197280
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10 -0.4145132755 -0.5337867651
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|
|
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orbital 1 7 8 2.6980856742 1.0000000000
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1 0.0000960249 0.0000054604
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2 0.0916608708 0.0052120121
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3 0.4345153401 0.0247073737
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|
4 -0.0002941043 -0.0000167232
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|
5 -0.6747408202 -0.0383670552
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6 -0.0003423422 -0.0000194664
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7 -0.8823719121 -0.0501733575
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|
8 -0.0451667307 -0.0025682664
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|
9 0.0001033066 0.0000058740
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|
10 0.0701398258 0.0039882850
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|
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orbital 1 7 9 4.7336556767 1.0000000000
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1 0.1042842771 -0.4474226363
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2 -0.0000350001 0.0001501664
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3 0.0000421024 -0.0001806285
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4 0.1355967578 -0.5817661189
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|
5 -0.0000418323 0.0001794826
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6 0.1356335866 -0.5819241304
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7 -0.0000513212 0.0002201885
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|
8 0.0000270744 -0.0001161595
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9 0.1042659752 -0.4473441172
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10 -0.0000256533 0.0001100632
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|
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orbital 1 7 10 4.7348658626 1.0000000000
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1 -0.2064597380 -0.5607062981
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2 0.0001036427 0.0002814753
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3 0.0000900818 0.0002446475
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4 0.1587122739 0.4310330530
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|
5 -0.0000796154 -0.0002162197
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|
6 0.1587477518 0.4311294058
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7 -0.0000867970 -0.0002357247
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|
8 -0.0001023265 -0.0002778951
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|
9 -0.2064135411 -0.5605808336
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10 0.0000885278 0.0002404274
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|
|
orbital 1 7 11 7.6134240991 0.0138157553
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1 0.0000095784 0.0000005825
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2 -0.0000094044 -0.0000005716
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3 0.0000091481 0.0000005561
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4 -0.0000403759 -0.0000024552
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5 0.0000068682 0.0000004175
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6 -0.0000403804 -0.0000024556
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7 -0.0000097299 -0.0000005917
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|
8 -0.0000103138 -0.0000006275
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|
9 0.0000095406 0.0000005801
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10 0.0000005774 0.0000000348
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|
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orbital 1 7 12 7.6140644597 0.0133713618
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1 -0.0000357559 0.0000003091
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2 -0.0000145944 0.0000001263
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3 -0.0000041707 0.0000000359
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|
4 -0.0000108277 0.0000000937
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5 -0.0000135768 0.0000001171
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6 -0.0000108057 0.0000000931
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7 -0.0000126224 0.0000001094
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8 0.0000113374 -0.0000000979
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9 -0.0000357002 0.0000003084
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|
10 0.0000004282 -0.0000000037
|
|
|
|
orbital 1 7 13 8.3155128359 -0.0340618805
|
|
1 0.0000475054 -0.0001873291
|
|
2 0.0850500923 -0.3353782509
|
|
3 0.0462088096 -0.1822153204
|
|
4 -0.0000364987 0.0001439265
|
|
5 -0.0721444061 0.2844872255
|
|
6 0.0000325732 -0.0001284471
|
|
7 0.0513742501 -0.2025842151
|
|
8 0.0763809050 -0.3011930215
|
|
9 -0.0000640302 0.0002524914
|
|
10 -0.1194537984 0.4710424756
|
|
|
|
orbital 1 7 14 8.3162489958 -0.0339655292
|
|
1 0.0000250791 -0.0000594239
|
|
2 0.0812871146 -0.1926088025
|
|
3 -0.1209707005 0.2866385640
|
|
4 0.0001157604 -0.0002742931
|
|
5 0.1888587032 -0.4474983382
|
|
6 -0.0000555618 0.0001316531
|
|
7 -0.1345429753 0.3187978992
|
|
8 0.0729902478 -0.1729494808
|
|
9 -0.0000750566 0.0001778449
|
|
10 -0.1141446498 0.2704643210
|
|
|
|
orbital 1 7 15 8.6767455945 0.0000000000
|
|
1 0.0000170861 0.0000269686
|
|
2 0.0000152574 0.0000240829
|
|
3 -0.4216937690 -0.6656067169
|
|
4 -0.0000790005 -0.0001246956
|
|
5 -0.2173988295 -0.3431450304
|
|
6 0.0001711170 0.0002700934
|
|
7 -0.0003739492 -0.0005902460
|
|
8 0.0145304447 0.0229350360
|
|
9 -0.0000585377 -0.0000923963
|
|
10 0.0074853220 0.0118149259
|
|
|
|
orbital 1 7 16 8.6772413318 0.0000000000
|
|
1 -0.0002221277 0.0002726704
|
|
2 0.0005902849 -0.0007245960
|
|
3 0.0171467756 -0.0210482812
|
|
4 0.0000668165 -0.0000820203
|
|
5 0.0088360866 -0.0108466129
|
|
6 -0.0000302377 0.0000371183
|
|
7 0.0000178819 -0.0000219505
|
|
8 0.4977978876 -0.6110647288
|
|
9 0.0001066769 -0.0001309502
|
|
10 0.2563458011 -0.3146736482
|
|
|
|
orbital 1 7 17 10.0188354947 0.0000000000
|
|
1 -0.1582162609 -0.3491027245
|
|
2 0.0000488197 0.0001077203
|
|
3 0.0000273414 0.0000603286
|
|
4 -0.1990363725 -0.4391719254
|
|
5 0.0001044109 0.0002303818
|
|
6 0.1989586411 0.4390004118
|
|
7 -0.0000641964 -0.0001416487
|
|
8 -0.0000207755 -0.0000458410
|
|
9 0.1582555306 0.3491893729
|
|
10 -0.0000832158 -0.0001836148
|
|
|
|
orbital 1 7 18 10.0198748620 0.0000000000
|
|
1 0.2072820245 0.4351534001
|
|
2 -0.0000737817 -0.0001548921
|
|
3 0.0000796598 0.0001672321
|
|
4 -0.1648762324 -0.3461296428
|
|
5 0.0001146861 0.0002407639
|
|
6 0.1648232050 0.3460183208
|
|
7 -0.0000625640 -0.0001313424
|
|
8 0.0000888913 0.0001866121
|
|
9 -0.2073477286 -0.4352913346
|
|
10 0.0001403121 0.0002945615
|
|
|
|
orbital 1 7 19 16.1557253852 0.0000000000
|
|
1 -0.0000375014 -0.0000085915
|
|
2 -0.0136246053 -0.0031213599
|
|
3 -0.0082834514 -0.0018977161
|
|
4 -0.0000064428 -0.0000014760
|
|
5 0.0128632994 0.0029469468
|
|
6 0.0000092817 0.0000021264
|
|
7 0.0064051427 0.0014674007
|
|
8 0.0176341515 0.0040399360
|
|
9 0.0000263286 0.0000060318
|
|
10 -0.0274192226 -0.0062816691
|
|
|
|
orbital 1 7 20 16.1563811893 0.0000000000
|
|
1 -0.0000135805 0.0000337039
|
|
2 -0.0024381646 0.0060509931
|
|
3 0.0067740104 -0.0168116171
|
|
4 0.0000150143 -0.0000372623
|
|
5 -0.0105185509 0.0261047502
|
|
6 -0.0000212799 0.0000528120
|
|
7 -0.0052157752 0.0129444171
|
|
8 0.0031637475 -0.0078517315
|
|
9 0.0000103854 -0.0000257743
|
|
10 -0.0049189640 0.0122077962
|
|
|
|
orbital 1 7 21 22.2152569328 0.0000000000
|
|
1 0.0000000498 -0.0000000051
|
|
2 -0.0000021789 0.0000002239
|
|
3 -0.0000002197 0.0000000226
|
|
4 -0.0000001592 0.0000000164
|
|
5 0.0000018093 -0.0000001859
|
|
6 0.0000001292 -0.0000000133
|
|
7 0.0000027074 -0.0000002782
|
|
8 0.0000013593 -0.0000001397
|
|
9 -0.0000000009 0.0000000001
|
|
10 -0.0000005838 0.0000000600
|
|
|
|
orbital 1 7 22 22.2158244182 0.0000000000
|
|
1 0.0000000009 0.0000001215
|
|
2 0.0000000351 0.0000046869
|
|
3 0.0000000170 0.0000022695
|
|
4 0.0000000004 0.0000000597
|
|
5 -0.0000000218 -0.0000029130
|
|
6 -0.0000000001 -0.0000000092
|
|
7 -0.0000000357 -0.0000047723
|
|
8 -0.0000000107 -0.0000014275
|
|
9 -0.0000000007 -0.0000000934
|
|
10 0.0000000228 0.0000030448
|
|
|
|
orbital 1 7 23 26.0825025823 0.0000000000
|
|
1 -0.0000029594 0.0000011125
|
|
2 0.0000002449 -0.0000000920
|
|
3 0.0000023015 -0.0000008652
|
|
4 0.0000015681 -0.0000005895
|
|
5 0.0000013569 -0.0000005101
|
|
6 0.0000017048 -0.0000006409
|
|
7 0.0000001726 -0.0000000649
|
|
8 -0.0000037224 0.0000013994
|
|
9 -0.0000032642 0.0000012271
|
|
10 -0.0000017228 0.0000006477
|
|
|
|
orbital 1 7 24 26.0836999336 0.0000000000
|
|
1 0.0000010503 -0.0000017136
|
|
2 0.0000000946 -0.0000001543
|
|
3 -0.0000019645 0.0000032050
|
|
4 -0.0000008085 0.0000013190
|
|
5 -0.0000011260 0.0000018371
|
|
6 -0.0000000312 0.0000000509
|
|
7 -0.0000001384 0.0000002258
|
|
8 -0.0000013758 0.0000022446
|
|
9 -0.0000000822 0.0000001340
|
|
10 -0.0000006170 0.0000010066
|
|
|
|
orbital 1 7 25 29.1627955970 0.0000000000
|
|
1 -0.0102251755 0.0215307262
|
|
2 -0.0000002435 0.0000005127
|
|
3 0.0000024790 -0.0000052198
|
|
4 -0.0495217780 0.1042759467
|
|
5 0.0000021853 -0.0000046015
|
|
6 -0.0495050685 0.1042407622
|
|
7 -0.0000047502 0.0000100022
|
|
8 0.0000017984 -0.0000037869
|
|
9 -0.0102272531 0.0215351009
|
|
10 0.0000016231 -0.0000034177
|
|
|
|
orbital 1 7 26 29.1633549055 0.0000000000
|
|
1 0.1075353407 -0.0418558285
|
|
2 0.0000121272 -0.0000047202
|
|
3 -0.0000013123 0.0000005108
|
|
4 -0.0222163682 0.0086472457
|
|
5 -0.0000016133 0.0000006279
|
|
6 -0.0222119026 0.0086455075
|
|
7 -0.0000036445 0.0000014185
|
|
8 -0.0000047598 0.0000018527
|
|
9 0.1075717379 -0.0418699953
|
|
10 -0.0000043430 0.0000016904
|
|
|
|
orbital 1 7 27 32.7666323482 0.0000000000
|
|
1 0.0000015313 -0.0000007934
|
|
2 -0.0479965481 0.0248702482
|
|
3 0.0240105202 -0.0124414696
|
|
4 0.0000010631 -0.0000005508
|
|
5 -0.0372603782 0.0193071145
|
|
6 -0.0000065098 0.0000033729
|
|
7 -0.0165243304 0.0085623698
|
|
8 0.0696863047 -0.0361091735
|
|
9 0.0000115089 -0.0000059634
|
|
10 -0.1081485158 0.0560390386
|
|
|
|
orbital 1 7 28 32.7667159581 0.0000000000
|
|
1 0.0000053753 -0.0000088881
|
|
2 -0.0096455774 0.0159492582
|
|
3 -0.0406148739 0.0671579421
|
|
4 -0.0000078571 0.0000129918
|
|
5 0.0630281469 -0.1042189770
|
|
6 -0.0000042723 0.0000070641
|
|
7 0.0279663577 -0.0462432317
|
|
8 0.0139967221 -0.0231440103
|
|
9 0.0000045057 -0.0000074500
|
|
10 -0.0217221578 0.0359182548
|
|
|
|
orbital 1 7 29 36.0608795595 0.0000000000
|
|
1 0.0000003197 0.0000007786
|
|
2 -0.0000017115 -0.0000040508
|
|
3 0.0000005653 0.0000012118
|
|
4 -0.0000004803 -0.0000011465
|
|
5 -0.0000010088 -0.0000024360
|
|
6 -0.0000004818 -0.0000011540
|
|
7 -0.0000020609 -0.0000048728
|
|
8 0.0000007269 0.0000016604
|
|
9 0.0000003279 0.0000007792
|
|
10 -0.0000007541 -0.0000018137
|
|
|
|
orbital 1 7 30 36.0616162274 0.0000000000
|
|
1 0.0000009745 -0.0000003017
|
|
2 0.0000182983 -0.0000058042
|
|
3 -0.0000043188 0.0000014426
|
|
4 0.0000009585 -0.0000003078
|
|
5 0.0000070659 -0.0000022120
|
|
6 0.0000009914 -0.0000003244
|
|
7 0.0000158040 -0.0000049977
|
|
8 -0.0000054335 0.0000017488
|
|
9 0.0000009503 -0.0000003025
|
|
10 0.0000081392 -0.0000025738
|
|
|
|
orbital 1 7 31 36.0810013458 0.0000000000
|
|
1 -0.0000057062 -0.0000032735
|
|
2 -0.0000272226 -0.0000155692
|
|
3 0.0288795476 0.0165482037
|
|
4 0.0000362658 0.0000207951
|
|
5 -0.0448640446 -0.0257074824
|
|
6 0.0000042788 0.0000024387
|
|
7 -0.0874433480 -0.0501057309
|
|
8 0.0000121265 0.0000069436
|
|
9 -0.0000002872 -0.0000001579
|
|
10 -0.0000187112 -0.0000107000
|
|
|
|
orbital 1 7 32 36.0810934656 0.0000000000
|
|
1 0.0000024495 -0.0000047143
|
|
2 -0.0466409857 0.0893364404
|
|
3 -0.0000073190 0.0000138203
|
|
4 -0.0000002541 0.0000004429
|
|
5 0.0000111738 -0.0000214417
|
|
6 -0.0000036006 0.0000069648
|
|
7 0.0000282349 -0.0000540840
|
|
8 0.0153961457 -0.0294900032
|
|
9 0.0000204959 -0.0000392853
|
|
10 -0.0239238228 0.0458237709
|
|
|
|
orbital 1 8 1 -31.6020722297 1.0000000000
|
|
1 0.0606440096 0.0082113658
|
|
2 0.0950040116 0.0128637863
|
|
3 0.0000001229 0.0000000200
|
|
4 0.1469578113 0.0198984857
|
|
5 0.0000001920 0.0000000429
|
|
6 0.0001519790 0.0000205655
|
|
7 0.0002769720 0.0000375019
|
|
8 0.0000004601 0.0000000908
|
|
9 0.0028247258 0.0003824332
|
|
10 0.0000002570 0.0000000072
|
|
|
|
orbital 1 8 2 -31.6020028349 1.0000000000
|
|
1 -0.0000152250 0.0004843739
|
|
2 -0.0000192003 0.0006107247
|
|
3 -0.0000000299 0.0000003227
|
|
4 -0.0000905164 0.0028824941
|
|
5 0.0000000174 -0.0000000697
|
|
6 0.0013838558 -0.0440900108
|
|
7 0.0017006656 -0.0541831508
|
|
8 -0.0000000025 -0.0000001869
|
|
9 0.0054376714 -0.1732445205
|
|
10 -0.0000000002 -0.0000002487
|
|
|
|
orbital 1 8 3 -31.6014579295 1.0000000000
|
|
1 0.0127988570 0.0426427409
|
|
2 0.0412635320 0.1374801691
|
|
3 -0.0000000048 -0.0000000992
|
|
4 -0.0319479578 -0.1064429141
|
|
5 -0.0000001043 -0.0000002927
|
|
6 0.0000543250 0.0001808886
|
|
7 0.0001212413 0.0004039073
|
|
8 0.0000001033 0.0000002499
|
|
9 -0.0004016079 -0.0013380657
|
|
10 0.0000000897 0.0000003148
|
|
|
|
orbital 1 8 4 -31.6012336941 1.0000000000
|
|
1 0.0000615782 -0.0000588276
|
|
2 -0.0002635020 0.0002516545
|
|
3 -0.0000002410 0.0000003551
|
|
4 0.0008307982 -0.0007935544
|
|
5 -0.0000003121 0.0000003127
|
|
6 0.0603661535 -0.0576598375
|
|
7 0.1101994080 -0.1052589454
|
|
8 -0.0000000095 0.0000000465
|
|
9 -0.0498126567 0.0475794546
|
|
10 -0.0000002197 0.0000002059
|
|
|
|
orbital 1 8 5 -31.5983564496 1.0000000000
|
|
1 -0.0000168809 0.0000573738
|
|
2 0.0000314781 -0.0001069732
|
|
3 0.0000001401 -0.0000002573
|
|
4 0.0000525843 -0.0001786243
|
|
5 -0.0000000460 0.0000001443
|
|
6 0.0455530641 -0.1547639050
|
|
7 -0.0264516612 0.0898680108
|
|
8 -0.0000000628 0.0000001647
|
|
9 -0.0033165901 0.0112679416
|
|
10 0.0000000138 -0.0000000326
|
|
|
|
orbital 1 8 6 -31.5977807093 1.0000000000
|
|
1 -0.1424637144 -0.0944332957
|
|
2 0.0597798671 0.0396255993
|
|
3 0.0000001055 0.0000001193
|
|
4 0.0201344644 0.0133462863
|
|
5 0.0000000362 0.0000000224
|
|
6 -0.0000298629 -0.0000197915
|
|
7 0.0001367361 0.0000906524
|
|
8 0.0000002124 0.0000001050
|
|
9 0.0001108015 0.0000734285
|
|
10 -0.0000001106 -0.0000000038
|
|
|
|
orbital 1 8 7 4.7667358278 1.0000000000
|
|
1 0.0200771407 0.0049036502
|
|
2 0.0113756788 0.0027784008
|
|
3 -0.0000074610 -0.0000018228
|
|
4 -0.0559979275 -0.0136769576
|
|
5 -0.0000130261 -0.0000031805
|
|
6 0.8160928832 0.1993228674
|
|
7 0.4033453273 0.0985132312
|
|
8 -0.0000092470 -0.0000022591
|
|
9 0.1794307347 0.0438242379
|
|
10 -0.0000121097 -0.0000029575
|
|
|
|
orbital 1 8 8 4.7669535483 1.0000000000
|
|
1 -0.5680410895 -0.3148284849
|
|
2 -0.6071893490 -0.3365258365
|
|
3 0.0000143126 0.0000079318
|
|
4 -0.0823565116 -0.0456448942
|
|
5 0.0000181312 0.0000100486
|
|
6 0.0247878401 0.0137382983
|
|
7 0.0041181970 0.0022824498
|
|
8 -0.0000087539 -0.0000048527
|
|
9 -0.0456453974 -0.0252982957
|
|
10 -0.0000114393 -0.0000063401
|
|
|
|
orbital 1 8 9 4.7682745632 1.0000000000
|
|
1 0.1324390208 -0.3273491871
|
|
2 -0.1650487959 0.4079506850
|
|
3 0.0000109162 -0.0000269853
|
|
4 0.2876455784 -0.7109728379
|
|
5 0.0000481982 -0.0001191316
|
|
6 0.0117021688 -0.0289242207
|
|
7 -0.0011055311 0.0027325364
|
|
8 0.0000018368 -0.0000045369
|
|
9 0.0346809595 -0.0857208363
|
|
10 0.0000050114 -0.0000123886
|
|
|
|
orbital 1 8 10 4.7684381284 1.0000000000
|
|
1 0.0252242936 0.0488908264
|
|
2 -0.0001221651 -0.0002367848
|
|
3 0.0000009824 0.0000019042
|
|
4 0.0351330423 0.0680963956
|
|
5 0.0000040380 0.0000078252
|
|
6 -0.0295033213 -0.0571846258
|
|
7 0.2283915837 0.4426785410
|
|
8 -0.0000199962 -0.0000387573
|
|
9 -0.3710632442 -0.7192109830
|
|
10 -0.0000781055 -0.0001513872
|
|
|
|
orbital 1 8 11 4.7692031828 1.3695238246
|
|
1 0.1139999509 0.5858605984
|
|
2 -0.0933259383 -0.4796141545
|
|
3 -0.0000162360 -0.0000834343
|
|
4 -0.1061174858 -0.5453515824
|
|
5 -0.0000148860 -0.0000764983
|
|
6 -0.0162508065 -0.0835150091
|
|
7 0.0121979517 0.0626868632
|
|
8 0.0000010957 0.0000056271
|
|
9 0.0065326922 0.0335723556
|
|
10 0.0000007599 0.0000039084
|
|
|
|
orbital 1 8 12 4.7694051935 1.3695289689
|
|
1 -0.0818365663 -0.0572139522
|
|
2 0.0332542510 0.0232488630
|
|
3 0.0000030901 0.0000021582
|
|
4 0.0279993364 0.0195750237
|
|
5 0.0000035148 0.0000024571
|
|
6 -0.3639812090 -0.2544681963
|
|
7 0.5745726242 0.4016978244
|
|
8 0.0000719495 0.0000503000
|
|
9 0.3796694482 0.2654362298
|
|
10 0.0000280472 0.0000196095
|
|
|
|
orbital 1 8 13 8.7396715135 -0.0015615314
|
|
1 0.0000028436 0.0000009120
|
|
2 0.0000032640 0.0000010465
|
|
3 0.0000007510 0.0000002416
|
|
4 -0.0000019325 -0.0000006196
|
|
5 0.0000007651 0.0000002456
|
|
6 -0.0000182748 -0.0000058582
|
|
7 -0.0000589842 -0.0000189070
|
|
8 -0.0655116426 -0.0209993706
|
|
9 0.0001461659 0.0000468527
|
|
10 -0.9221570847 -0.2955920159
|
|
|
|
orbital 1 8 14 8.7399081345 -0.0015520008
|
|
1 -0.0000185609 -0.0000199008
|
|
2 -0.0000190810 -0.0000204580
|
|
3 -0.1496408997 -0.1604447413
|
|
4 0.0001012569 0.0001085671
|
|
5 -0.6450201766 -0.6915896337
|
|
6 -0.0000018881 -0.0000020239
|
|
7 -0.0000035362 -0.0000037915
|
|
8 0.0000001082 0.0000001159
|
|
9 -0.0000000180 -0.0000000201
|
|
10 -0.0000006643 -0.0000007126
|
|
|
|
orbital 1 8 15 8.7418422988 0.0000000000
|
|
1 0.0000416583 0.0000229030
|
|
2 -0.0000213482 -0.0000117368
|
|
3 0.8287073757 0.4556108113
|
|
4 -0.0000286996 -0.0000157790
|
|
5 -0.1922548220 -0.1056988002
|
|
6 -0.0000009072 -0.0000004991
|
|
7 0.0000041191 0.0000022643
|
|
8 0.0000141259 0.0000077646
|
|
9 0.0000025750 0.0000014161
|
|
10 -0.0000004870 -0.0000002674
|
|
|
|
orbital 1 8 16 8.7422516977 0.0000000000
|
|
1 0.0000000649 0.0000000973
|
|
2 0.0000034093 0.0000050925
|
|
3 0.0000087059 0.0000130045
|
|
4 0.0000012064 0.0000018022
|
|
5 -0.0000021501 -0.0000032103
|
|
6 -0.0000249172 -0.0000372190
|
|
7 0.0000222192 0.0000331878
|
|
8 -0.5387269085 -0.8046814323
|
|
9 0.0000339915 0.0000507719
|
|
10 0.0382707659 0.0571639801
|
|
|
|
orbital 1 8 17 16.4016569513 0.0000000000
|
|
1 -0.0016263935 -0.0022580336
|
|
2 -0.0050240454 -0.0069752269
|
|
3 0.0000004712 0.0000006542
|
|
4 -0.0040212323 -0.0055829527
|
|
5 0.0000000792 0.0000001100
|
|
6 0.0661352183 0.0918200623
|
|
7 0.0256514250 0.0356136337
|
|
8 -0.0000003251 -0.0000004513
|
|
9 0.0091850779 0.0127522741
|
|
10 0.0000015791 0.0000021924
|
|
|
|
orbital 1 8 18 16.4018801700 0.0000000000
|
|
1 -0.0298129100 -0.0578168679
|
|
2 -0.0472135232 -0.0915622808
|
|
3 0.0000004588 0.0000008897
|
|
4 -0.0054397090 -0.0105493538
|
|
5 -0.0000019092 -0.0000037026
|
|
6 -0.0033105647 -0.0064202550
|
|
7 -0.0022690460 -0.0044004137
|
|
8 -0.0000005881 -0.0000011405
|
|
9 -0.0032760999 -0.0063534166
|
|
10 0.0000002279 0.0000004420
|
|
|
|
orbital 1 8 19 16.4031543267 0.0000000000
|
|
1 0.0688658615 -0.0679481511
|
|
2 -0.0469983527 0.0463720500
|
|
3 0.0000032598 -0.0000032163
|
|
4 0.0235270505 -0.0232135276
|
|
5 -0.0000141007 0.0000139128
|
|
6 -0.0035184175 0.0034715309
|
|
7 0.0038973883 -0.0038454514
|
|
8 -0.0000049622 0.0000048961
|
|
9 0.0112717938 -0.0111215852
|
|
10 -0.0000049753 0.0000049090
|
|
|
|
orbital 1 8 20 16.4034561642 0.0000000000
|
|
1 0.0015405522 0.0003816040
|
|
2 0.0001651718 0.0000409140
|
|
3 0.0000011393 0.0000002822
|
|
4 -0.0132497541 -0.0032820433
|
|
5 0.0000046895 0.0000011616
|
|
6 -0.0384506880 -0.0095244654
|
|
7 0.1080215034 0.0267575725
|
|
8 -0.0000071918 -0.0000017815
|
|
9 -0.0303660518 -0.0075218526
|
|
10 0.0000375993 0.0000093136
|
|
|
|
orbital 1 8 21 16.4035050526 0.0000000000
|
|
1 0.0001739269 0.0000306574
|
|
2 0.0000883992 0.0000155818
|
|
3 0.0000125466 0.0000022115
|
|
4 -0.0558702688 -0.0098480082
|
|
5 0.0000265567 0.0000046810
|
|
6 -0.0232918879 -0.0041055593
|
|
7 0.0141018536 0.0024856721
|
|
8 -0.0000334142 -0.0000058898
|
|
9 0.1039544320 0.0183235931
|
|
10 -0.0000503048 -0.0000088670
|
|
|
|
orbital 1 8 22 16.4035332875 0.0000000000
|
|
1 0.0360738826 -0.0141668346
|
|
2 -0.0082867450 0.0032543474
|
|
3 0.0000299982 -0.0000117808
|
|
4 -0.0950929452 0.0373446362
|
|
5 0.0000449170 -0.0000176397
|
|
6 0.0093720347 -0.0036805593
|
|
7 -0.0218003309 0.0085613651
|
|
8 0.0000153681 -0.0000060353
|
|
9 -0.0461129672 0.0181093561
|
|
10 0.0000208218 -0.0000081771
|
|
|
|
orbital 1 8 23 18.0539115721 0.0000000000
|
|
1 0.0000282768 -0.0000031198
|
|
2 -0.0000420318 0.0000046374
|
|
3 -0.0000491825 0.0000054263
|
|
4 -0.0000312909 0.0000034523
|
|
5 -0.0000164008 0.0000018095
|
|
6 -0.0000000920 0.0000000102
|
|
7 0.0000001645 -0.0000000181
|
|
8 0.0000000279 -0.0000000031
|
|
9 -0.0000001624 0.0000000179
|
|
10 0.0000000160 -0.0000000018
|
|
|
|
orbital 1 8 24 18.0539464708 0.0000000000
|
|
1 0.0000000155 -0.0000000345
|
|
2 -0.0000000294 0.0000000654
|
|
3 0.0000000263 -0.0000000584
|
|
4 0.0000000993 -0.0000002207
|
|
5 -0.0000000036 0.0000000081
|
|
6 -0.0000117536 0.0000261149
|
|
7 0.0000160982 -0.0000357680
|
|
8 0.0000062800 -0.0000139534
|
|
9 0.0000126242 -0.0000280492
|
|
10 0.0000155877 -0.0000346338
|
|
|
|
orbital 1 8 25 36.0814451504 0.0000000000
|
|
1 0.0000016422 0.0000059187
|
|
2 -0.0000039815 -0.0000143686
|
|
3 0.0000051829 0.0000187083
|
|
4 -0.0000074859 -0.0000269949
|
|
5 0.0000032476 0.0000117259
|
|
6 0.0000000028 -0.0000000046
|
|
7 0.0000000042 0.0000000076
|
|
8 -0.0000000014 -0.0000000035
|
|
9 -0.0000000010 -0.0000000108
|
|
10 -0.0000000055 -0.0000000020
|
|
|
|
orbital 1 8 26 36.0815393322 0.0000000000
|
|
1 -0.0000000016 -0.0000000051
|
|
2 0.0000000055 0.0000000056
|
|
3 -0.0000000035 0.0000000027
|
|
4 -0.0000000124 -0.0000000073
|
|
5 -0.0000000066 0.0000000059
|
|
6 0.0000050269 0.0000048258
|
|
7 -0.0000136394 -0.0000130970
|
|
8 0.0000244388 0.0000234646
|
|
9 -0.0000213204 -0.0000204743
|
|
10 0.0000024966 0.0000024006
|
|
|
|
orbital 1 8 27 39.6413926221 0.0000000000
|
|
1 -0.0000010888 -0.0000006148
|
|
2 0.0000023553 0.0000012472
|
|
3 -0.0000000969 -0.0000002099
|
|
4 -0.0000018187 -0.0000009262
|
|
5 0.0000009441 0.0000004975
|
|
6 -0.0000108085 -0.0000059300
|
|
7 0.0000027122 0.0000014936
|
|
8 -0.0000017191 -0.0000006082
|
|
9 -0.0000031346 -0.0000017137
|
|
10 -0.0000045008 -0.0000022931
|
|
|
|
orbital 1 8 28 39.6414599827 0.0000000000
|
|
1 0.0000045087 -0.0000020360
|
|
2 -0.0000114360 0.0000040811
|
|
3 -0.0000064420 0.0000024537
|
|
4 -0.0000066054 0.0000018595
|
|
5 -0.0000023024 0.0000010899
|
|
6 -0.0000018179 0.0000006967
|
|
7 0.0000005304 0.0000000256
|
|
8 -0.0000012396 0.0000008331
|
|
9 0.0000001091 -0.0000000403
|
|
10 -0.0000007185 -0.0000004922
|
|
|
|
orbital 1 8 29 39.6418536764 0.0000000000
|
|
1 0.0000017236 -0.0000006954
|
|
2 0.0000016934 -0.0000006637
|
|
3 0.0000019361 -0.0000010344
|
|
4 0.0000058749 -0.0000024755
|
|
5 -0.0000029350 0.0000009426
|
|
6 -0.0000005958 0.0000001483
|
|
7 0.0000028743 -0.0000011067
|
|
8 0.0000101387 -0.0000032367
|
|
9 -0.0000161834 0.0000061981
|
|
10 -0.0000059519 0.0000021609
|
|
|
|
orbital 1 8 30 39.6419120633 0.0000000000
|
|
1 -0.0000000636 -0.0000012634
|
|
2 0.0000024963 -0.0000039396
|
|
3 0.0000058675 -0.0000071467
|
|
4 0.0000102185 -0.0000133664
|
|
5 -0.0000035925 0.0000060241
|
|
6 -0.0000014369 0.0000005587
|
|
7 0.0000004697 -0.0000008186
|
|
8 -0.0000038157 0.0000040307
|
|
9 0.0000039215 -0.0000054718
|
|
10 0.0000011486 -0.0000015357
|
|
|
|
orbital 1 8 31 39.6425977859 0.0000000000
|
|
1 0.0000037728 -0.0000003509
|
|
2 0.0000032155 -0.0000005411
|
|
3 -0.0000031043 -0.0000005009
|
|
4 -0.0000063209 -0.0000005160
|
|
5 0.0000000051 0.0000006004
|
|
6 0.0000043168 -0.0000004094
|
|
7 0.0000027158 0.0000000153
|
|
8 -0.0000006285 -0.0000003531
|
|
9 -0.0000008350 0.0000000600
|
|
10 -0.0000020560 -0.0000001912
|
|
|
|
orbital 1 8 32 39.6426610930 0.0000000000
|
|
1 -0.0000018879 0.0000019474
|
|
2 -0.0000015743 0.0000019606
|
|
3 0.0000008635 -0.0000015727
|
|
4 0.0000006792 -0.0000007748
|
|
5 -0.0000002813 0.0000009528
|
|
6 0.0000027957 -0.0000054720
|
|
7 0.0000037140 -0.0000058741
|
|
8 -0.0000008857 0.0000004311
|
|
9 -0.0000044494 0.0000068588
|
|
10 -0.0000019058 0.0000033836
|
|
|