mirror of
https://github.com/triqs/dft_tools
synced 2024-08-17 09:41:43 +02:00
![Oleg E. Peil](/assets/img/avatar_default.png)
This test suite is based on V d-projectors in SrVO3. The data have been recalculated to obtain the correct format of LOCPROJ. Also, some small but important changes are introduced to the LOCPROJ parser and class ElectronicStructure. Specifically, eigenvalues, Fermi-weights, and Fermi level are now read from LOCPROJ instead of EIGENVAL and DOSCAR. Besides, LOCPROJ now provides the value of NCDIJ instead of NSPIN. Basically, with these changes EIGENVAL and DOSCAR are no longer needed. Although corresponding parseres will remain in 'vaspio.py' they will not be used for standard operations.
6056 lines
256 KiB
Plaintext
6056 lines
256 KiB
Plaintext
1 27 32 5 5.6022091 # of spin, # of k-points, # of bands, # of proj
|
|
ISITE: 2 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dxy
|
|
ISITE: 2 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dyz
|
|
ISITE: 2 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dz2
|
|
ISITE: 2 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dxz
|
|
ISITE: 2 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dx2-y2
|
|
|
|
orbital 1 1 1 -34.3318950867 1.0000000000
|
|
1 -0.0000000011 0.0000000006
|
|
2 0.0000000010 0.0000000006
|
|
3 -0.0000000002 -0.0000000004
|
|
4 -0.0000000025 -0.0000000001
|
|
5 0.0000000000 0.0000000005
|
|
|
|
orbital 1 1 2 -34.3318950755 1.0000000000
|
|
1 -0.0000000006 -0.0000000000
|
|
2 0.0000000002 0.0000000028
|
|
3 -0.0000000001 -0.0000000000
|
|
4 -0.0000000006 0.0000000009
|
|
5 0.0000000000 -0.0000000004
|
|
|
|
orbital 1 1 3 -34.3318950564 1.0000000000
|
|
1 -0.0000000008 0.0000000026
|
|
2 -0.0000000005 0.0000000016
|
|
3 -0.0000000007 -0.0000000002
|
|
4 0.0000000009 0.0000000010
|
|
5 -0.0000000007 -0.0000000003
|
|
|
|
orbital 1 1 4 -29.1764265253 1.0000000000
|
|
1 -0.0000000064 0.0000000009
|
|
2 0.0000000296 -0.0000000061
|
|
3 -0.0000000096 0.0000000012
|
|
4 0.0000000239 0.0000000072
|
|
5 -0.0000000077 0.0000000034
|
|
|
|
orbital 1 1 5 -14.3910268291 1.0000000000
|
|
1 -0.0000000020 -0.0000000005
|
|
2 0.0000000032 -0.0000000032
|
|
3 0.0000000073 -0.0000000069
|
|
4 0.0000000039 -0.0000000005
|
|
5 -0.0000000065 0.0000000041
|
|
|
|
orbital 1 1 6 -13.1984483021 1.0000000000
|
|
1 -0.0000000001 -0.0000000005
|
|
2 0.0000000011 0.0000000004
|
|
3 0.1938392075 0.5637647504
|
|
4 -0.0000000000 0.0000000006
|
|
5 -0.0187841911 -0.0546261367
|
|
|
|
orbital 1 1 7 -13.1984482355 1.0000000000
|
|
1 0.0000000000 -0.0000000007
|
|
2 0.0000000014 0.0000000001
|
|
3 0.0112833106 -0.0566528688
|
|
4 0.0000000003 0.0000000007
|
|
5 0.1164271604 -0.5846785918
|
|
|
|
orbital 1 1 8 -11.1830030841 1.0000000000
|
|
1 0.0000000000 -0.0000000002
|
|
2 0.0000000007 0.0000000005
|
|
3 0.0000000002 -0.0000000006
|
|
4 -0.0000000001 0.0000000005
|
|
5 -0.0000000002 -0.0000000005
|
|
|
|
orbital 1 1 9 -11.1830030839 1.0000000000
|
|
1 -0.0000000003 0.0000000001
|
|
2 -0.0000000003 -0.0000000001
|
|
3 -0.0000000000 0.0000000003
|
|
4 0.0000000000 -0.0000000002
|
|
5 0.0000000000 0.0000000002
|
|
|
|
orbital 1 1 10 -11.1830030837 1.0000000000
|
|
1 -0.0000000003 0.0000000002
|
|
2 -0.0000000005 -0.0000000005
|
|
3 -0.0000000003 0.0000000006
|
|
4 0.0000000001 -0.0000000006
|
|
5 0.0000000001 0.0000000004
|
|
|
|
orbital 1 1 11 0.1989136879 1.0000000000
|
|
1 0.0000000004 -0.0000000005
|
|
2 0.0000000015 0.0000000002
|
|
3 0.0000000016 -0.0000000017
|
|
4 -0.0000000001 0.0000000003
|
|
5 -0.0000000003 -0.0000000017
|
|
|
|
orbital 1 1 12 0.1989137097 1.0000000000
|
|
1 -0.0000000004 0.0000000005
|
|
2 -0.0000000021 -0.0000000001
|
|
3 -0.0000000022 0.0000000023
|
|
4 -0.0000000001 -0.0000000006
|
|
5 0.0000000006 0.0000000023
|
|
|
|
orbital 1 1 13 0.1989137511 1.0000000000
|
|
1 0.0000000005 -0.0000000005
|
|
2 0.0000000014 0.0000000001
|
|
3 0.0000000014 -0.0000000021
|
|
4 0.0000000002 0.0000000004
|
|
5 -0.0000000005 -0.0000000015
|
|
|
|
orbital 1 1 14 2.1458638410 1.0000000000
|
|
1 -0.0000000004 0.0000000004
|
|
2 -0.0000000011 -0.0000000008
|
|
3 -0.0000000019 0.0000000003
|
|
4 0.0000000008 -0.0000000001
|
|
5 -0.0000000005 0.0000000021
|
|
|
|
orbital 1 1 15 2.1458638503 1.0000000000
|
|
1 -0.0000000008 0.0000000006
|
|
2 -0.0000000020 -0.0000000012
|
|
3 -0.0000000033 0.0000000013
|
|
4 0.0000000008 0.0000000002
|
|
5 -0.0000000008 0.0000000034
|
|
|
|
orbital 1 1 16 2.1458638506 1.0000000000
|
|
1 0.0000000001 -0.0000000004
|
|
2 0.0000000015 0.0000000001
|
|
3 0.0000000018 -0.0000000023
|
|
4 0.0000000003 0.0000000005
|
|
5 -0.0000000006 -0.0000000022
|
|
|
|
orbital 1 1 17 2.9993652470 1.0000000000
|
|
1 -0.0000000001 0.0000000000
|
|
2 0.0000000000 -0.0000000002
|
|
3 -0.0000000001 0.0000000001
|
|
4 0.0000000001 0.0000000002
|
|
5 0.0000000000 0.0000000001
|
|
|
|
orbital 1 1 18 2.9993652523 1.0000000000
|
|
1 -0.0000000001 0.0000000000
|
|
2 0.0000000000 -0.0000000001
|
|
3 -0.0000000000 0.0000000000
|
|
4 0.0000000000 0.0000000001
|
|
5 0.0000000000 0.0000000000
|
|
|
|
orbital 1 1 19 2.9993652621 1.0000000000
|
|
1 -0.0000000001 0.0000000000
|
|
2 0.0000000000 -0.0000000001
|
|
3 -0.0000000000 0.0000000000
|
|
4 0.0000000001 0.0000000001
|
|
5 -0.0000000000 0.0000000000
|
|
|
|
orbital 1 1 20 4.4111451279 1.0902584969
|
|
1 -0.0004002275 0.0028925829
|
|
2 -0.1328847483 0.9606131163
|
|
3 -0.0000000001 0.0000000012
|
|
4 -0.0001263273 0.0008642294
|
|
5 -0.0000000002 0.0000000013
|
|
|
|
orbital 1 1 21 4.4111451384 1.1908931782
|
|
1 0.0024811524 -0.0016466069
|
|
2 -0.0007314730 0.0004934993
|
|
3 0.0000000010 -0.0000000007
|
|
4 0.8080119870 -0.5362389279
|
|
5 -0.0000000012 0.0000000008
|
|
|
|
orbital 1 1 22 4.4111456216 1.0724470768
|
|
1 -0.9643523239 0.1022369010
|
|
2 0.0029011781 -0.0003076378
|
|
3 -0.0000000000 0.0000000000
|
|
4 0.0029638569 -0.0003142092
|
|
5 0.0000000000 0.0000000000
|
|
|
|
orbital 1 1 23 6.6484156370 0.0000000000
|
|
1 0.0000000001 0.0000000000
|
|
2 0.0000000014 0.0000000013
|
|
3 -0.0219692823 -0.0197045546
|
|
4 -0.0000000013 -0.0000000012
|
|
5 -0.5470377927 -0.4906408906
|
|
|
|
orbital 1 1 24 6.6484163042 0.0000000000
|
|
1 0.0000000000 -0.0000000000
|
|
2 -0.0000000012 0.0000000009
|
|
3 0.5923904448 -0.4348015491
|
|
4 -0.0000000014 0.0000000010
|
|
5 -0.0237906839 0.0174620204
|
|
|
|
orbital 1 1 25 8.9528878373 0.0000000000
|
|
1 0.0000000001 -0.0000000000
|
|
2 -0.0000000000 0.0000000001
|
|
3 0.0018384812 -0.0011103808
|
|
4 -0.0000000000 -0.0000000001
|
|
5 0.1935598398 -0.1165486236
|
|
|
|
orbital 1 1 26 8.9528878419 0.0000000000
|
|
1 -0.0000000001 -0.0000000000
|
|
2 0.0000000001 -0.0000000001
|
|
3 -0.2256541623 0.0113664994
|
|
4 0.0000000001 0.0000000001
|
|
5 0.0021452046 -0.0001051644
|
|
|
|
orbital 1 1 27 10.1355109935 0.0000000000
|
|
1 0.0000000064 0.0000000078
|
|
2 -0.0000000121 0.0000000090
|
|
3 0.0000000022 0.0000000056
|
|
4 -0.0000000060 -0.0000000128
|
|
5 0.0000000081 0.0000000051
|
|
|
|
orbital 1 1 28 11.9174455099 0.0000000000
|
|
1 -0.0000662976 0.0002555540
|
|
2 -0.0273788825 0.1054482716
|
|
3 0.0000000001 0.0000000000
|
|
4 -0.0000133030 0.0000505801
|
|
5 -0.0000000000 0.0000000000
|
|
|
|
orbital 1 1 29 11.9174455113 0.0000000000
|
|
1 0.0000505326 -0.0002655065
|
|
2 -0.0000097285 0.0000520543
|
|
3 -0.0000000000 0.0000000001
|
|
4 0.0203465936 -0.1070278195
|
|
5 0.0000000000 0.0000000000
|
|
|
|
orbital 1 1 30 11.9174455649 0.0000000000
|
|
1 0.0918191563 0.0586354914
|
|
2 -0.0002223736 -0.0001420712
|
|
3 -0.0000000002 0.0000000004
|
|
4 -0.0002279258 -0.0001454856
|
|
5 -0.0000000001 0.0000000001
|
|
|
|
orbital 1 1 31 18.6927430887 0.0000000000
|
|
1 0.0000010676 -0.0000004359
|
|
2 0.0000000842 -0.0000003030
|
|
3 -0.0000002004 -0.0000006626
|
|
4 -0.0000024679 -0.0000001897
|
|
5 -0.0000003605 0.0000006120
|
|
|
|
orbital 1 1 32 21.0437131855 0.0000000000
|
|
1 -0.0000003427 0.0000000464
|
|
2 -0.0000000196 0.0000004117
|
|
3 -0.0000002641 0.0000009782
|
|
4 -0.0000001711 -0.0000001273
|
|
5 -0.0000002530 0.0000000174
|
|
|
|
orbital 1 2 1 -34.3587414478 1.0000000000
|
|
1 -0.0000000010 0.0000000007
|
|
2 -0.0000000008 -0.0000000012
|
|
3 -0.0015111907 0.0125846040
|
|
4 0.0000000004 0.0000000013
|
|
5 0.0025236982 -0.0210163598
|
|
|
|
orbital 1 2 2 -34.3306810819 1.0000000000
|
|
1 0.0012157099 -0.0062005224
|
|
2 0.0000000008 -0.0000000025
|
|
3 -0.0000000002 -0.0000000001
|
|
4 -0.0000074054 0.0000376418
|
|
5 0.0000000012 0.0000000008
|
|
|
|
orbital 1 2 3 -34.3306810516 1.0000000000
|
|
1 -0.0000282024 0.0000260028
|
|
2 -0.0000000022 0.0000000032
|
|
3 0.0000000011 0.0000000005
|
|
4 -0.0046484096 0.0042798019
|
|
5 -0.0000000015 -0.0000000009
|
|
|
|
orbital 1 2 4 -29.1520353311 1.0000000000
|
|
1 -0.0000000061 0.0000000058
|
|
2 -0.0000000145 0.0000000456
|
|
3 -0.0276746821 -0.0112872557
|
|
4 0.0000000220 0.0000000146
|
|
5 0.0462169062 0.0188497799
|
|
|
|
orbital 1 2 5 -14.4995872486 1.0000000000
|
|
1 0.0000000007 -0.0000000001
|
|
2 0.0000000024 -0.0000000028
|
|
3 -0.2552132548 -0.0616797263
|
|
4 -0.0000000032 -0.0000000008
|
|
5 0.4262075714 0.1030054892
|
|
|
|
orbital 1 2 6 -13.1640224942 1.0000000000
|
|
1 -0.0000000001 -0.0000000004
|
|
2 -0.0000000002 0.0000000008
|
|
3 0.1338522582 0.4808866376
|
|
4 0.0000000004 0.0000000002
|
|
5 0.0745112761 0.2676942366
|
|
|
|
orbital 1 2 7 -13.1363852264 1.0000000000
|
|
1 -0.0000000005 -0.0000000001
|
|
2 -0.0000000016 0.0000000012
|
|
3 -0.1128342129 -0.1120477933
|
|
4 0.0000000012 0.0000000002
|
|
5 0.1884343056 0.1871209761
|
|
|
|
orbital 1 2 8 -11.1367476665 1.0000000000
|
|
1 0.1503508409 -0.0403883464
|
|
2 0.0000000003 -0.0000000002
|
|
3 -0.0000000008 -0.0000000005
|
|
4 0.0034694960 -0.0009048705
|
|
5 0.0000000007 0.0000000001
|
|
|
|
orbital 1 2 9 -11.1367476655 1.0000000000
|
|
1 0.0033730089 0.0012161447
|
|
2 0.0000000009 -0.0000000004
|
|
3 -0.0000000020 -0.0000000010
|
|
4 -0.1460627935 -0.0538725760
|
|
5 0.0000000017 0.0000000004
|
|
|
|
orbital 1 2 10 -10.6951019974 1.0000000000
|
|
1 -0.0000000002 -0.0000000003
|
|
2 -0.0000000009 0.0000000003
|
|
3 0.0272809371 0.0146842865
|
|
4 0.0000000004 -0.0000000000
|
|
5 -0.0455593204 -0.0245228415
|
|
|
|
orbital 1 2 11 -0.9415175017 1.0000000000
|
|
1 0.0000000002 -0.0000000006
|
|
2 -0.0000000020 -0.0000000006
|
|
3 0.1800703960 0.0422973776
|
|
4 0.0000000006 -0.0000000005
|
|
5 -0.3007185997 -0.0706368616
|
|
|
|
orbital 1 2 12 0.1656678212 1.0000000000
|
|
1 -0.0920644431 -0.1359685740
|
|
2 -0.0000000048 -0.0000000019
|
|
3 0.0000000014 0.0000000055
|
|
4 -0.0001113901 -0.0001656449
|
|
5 -0.0000000039 -0.0000000028
|
|
|
|
orbital 1 2 13 0.1656678574 1.0000000000
|
|
1 -0.0000046945 0.0001995576
|
|
2 0.0000000001 0.0000000000
|
|
3 -0.0000000001 -0.0000000006
|
|
4 0.0043837537 -0.1641465855
|
|
5 0.0000000002 0.0000000000
|
|
|
|
orbital 1 2 14 1.0970857933 1.0000000000
|
|
1 -0.0309118902 -0.0239957412
|
|
2 0.0000000046 0.0000000025
|
|
3 -0.0000000006 -0.0000000048
|
|
4 -0.4399689443 -0.3414126382
|
|
5 0.0000000034 0.0000000028
|
|
|
|
orbital 1 2 15 1.0970858176 1.0000000000
|
|
1 0.5502053842 -0.0860770803
|
|
2 -0.0000000007 -0.0000000005
|
|
3 0.0000000002 0.0000000007
|
|
4 -0.0386610597 0.0060550168
|
|
5 -0.0000000007 -0.0000000005
|
|
|
|
orbital 1 2 16 1.1931440965 1.0000000000
|
|
1 0.0000000056 -0.0000000052
|
|
2 -0.0000000160 -0.0000000150
|
|
3 -0.0307439726 -0.0732337948
|
|
4 0.0000000010 -0.0000000093
|
|
5 0.0513425927 0.1223008773
|
|
|
|
orbital 1 2 17 1.4730702124 1.0000000000
|
|
1 -0.0000000000 0.0000000001
|
|
2 0.0000000001 -0.0000000000
|
|
3 -0.0180390501 -0.0171552824
|
|
4 -0.0000000007 -0.0000000006
|
|
5 -0.0100417712 -0.0095498056
|
|
|
|
orbital 1 2 18 2.6212437053 1.0000000000
|
|
1 0.1060425258 0.0310131584
|
|
2 0.0000000001 0.0000000000
|
|
3 0.0000000000 -0.0000000000
|
|
4 0.0030649979 0.0008964716
|
|
5 0.0000000000 -0.0000000000
|
|
|
|
orbital 1 2 19 2.6212437169 1.0000000000
|
|
1 0.0022675939 -0.0022485309
|
|
2 0.0000000000 -0.0000000000
|
|
3 -0.0000000000 0.0000000000
|
|
4 -0.0784553934 0.0777919428
|
|
5 -0.0000000001 0.0000000001
|
|
|
|
orbital 1 2 20 4.5028164204 1.1226878180
|
|
1 0.0000000006 0.0000000002
|
|
2 0.9370951355 0.2626986712
|
|
3 0.0000000015 0.0000000004
|
|
4 0.0000000000 0.0000000000
|
|
5 0.0000000010 0.0000000003
|
|
|
|
orbital 1 2 21 5.9520647445 0.0443815134
|
|
1 0.0005843303 0.0028200971
|
|
2 -0.0000000000 -0.0000000000
|
|
3 0.0000000003 0.0000000015
|
|
4 0.1541614908 0.7439234289
|
|
5 -0.0000000000 -0.0000000002
|
|
|
|
orbital 1 2 22 5.9520652749 0.0438953034
|
|
1 0.5063274850 0.5664100449
|
|
2 -0.0000000006 -0.0000000007
|
|
3 0.0000000000 0.0000000000
|
|
4 -0.0019194506 -0.0021471138
|
|
5 0.0000000000 0.0000000000
|
|
|
|
orbital 1 2 23 6.6618955911 0.0000000000
|
|
1 -0.0000000000 -0.0000000000
|
|
2 -0.0000000002 -0.0000000024
|
|
3 0.0497346180 0.6482978134
|
|
4 -0.0000000001 -0.0000000013
|
|
5 0.0276857062 0.3608871150
|
|
|
|
orbital 1 2 24 8.5354957221 0.0000000000
|
|
1 0.0000000000 -0.0000000000
|
|
2 -0.0000000004 -0.0000000000
|
|
3 -0.3426116792 -0.0145499481
|
|
4 0.0000000015 0.0000000001
|
|
5 0.5721632023 0.0242984855
|
|
|
|
orbital 1 2 25 10.4342918785 0.0000000000
|
|
1 0.0000000000 -0.0000000000
|
|
2 0.0000000000 -0.0000000000
|
|
3 -0.0520666874 0.0712475636
|
|
4 0.0000000000 0.0000000000
|
|
5 -0.0289838881 0.0396612789
|
|
|
|
orbital 1 2 26 10.5105018370 0.0000000000
|
|
1 -0.0000000000 0.0000000000
|
|
2 -0.0000000000 -0.0000000000
|
|
3 -0.0673150291 -0.0281965890
|
|
4 -0.0000000000 -0.0000000000
|
|
5 0.1124164686 0.0470884586
|
|
|
|
orbital 1 2 27 11.7588700618 0.0000000000
|
|
1 -0.0000000000 0.0000000000
|
|
2 0.0469995321 -0.0305358314
|
|
3 -0.0000000001 0.0000000000
|
|
4 0.0000000000 -0.0000000000
|
|
5 -0.0000000001 0.0000000001
|
|
|
|
orbital 1 2 28 12.4330308867 0.0000000000
|
|
1 0.0000000010 0.0000000006
|
|
2 -0.0000000036 0.0000000010
|
|
3 0.0534811619 -0.0541115002
|
|
4 -0.0000000049 0.0000000016
|
|
5 -0.0893138331 0.0903665082
|
|
|
|
orbital 1 2 29 12.8698676631 0.0000000000
|
|
1 -0.0000016084 0.0000000583
|
|
2 -0.0000000000 -0.0000000001
|
|
3 0.0000000002 0.0000000002
|
|
4 -0.0495047272 0.0047747497
|
|
5 -0.0000000000 0.0000000001
|
|
|
|
orbital 1 2 30 12.8698676793 0.0000000000
|
|
1 0.0237030703 0.0437227922
|
|
2 -0.0000000001 0.0000000001
|
|
3 0.0000000001 -0.0000000001
|
|
4 -0.0000008503 -0.0000013670
|
|
5 0.0000000001 -0.0000000001
|
|
|
|
orbital 1 2 31 17.9005215804 0.0000000000
|
|
1 -0.0000001714 0.0000006844
|
|
2 -0.0000012891 -0.0000001399
|
|
3 -0.0298328955 -0.0460717376
|
|
4 -0.0000020653 0.0000006644
|
|
5 0.0498216245 0.0769397334
|
|
|
|
orbital 1 2 32 19.2345482087 0.0000000000
|
|
1 0.0000008475 0.0000016167
|
|
2 0.0000026039 -0.0000011990
|
|
3 -0.0082665007 0.0222230663
|
|
4 0.0000023270 -0.0000022216
|
|
5 0.0138070168 -0.0371107669
|
|
|
|
orbital 1 3 1 -34.3587414478 1.0000000000
|
|
1 0.0000000047 -0.0000000004
|
|
2 0.0000000006 -0.0000000050
|
|
3 0.0067061648 -0.0107556103
|
|
4 0.0000000029 0.0000000018
|
|
5 -0.0111993419 0.0179619424
|
|
|
|
orbital 1 3 2 -34.3306810819 1.0000000000
|
|
1 -0.0033900969 0.0053321287
|
|
2 0.0000000026 -0.0000000049
|
|
3 0.0000000043 0.0000000089
|
|
4 0.0000214112 -0.0000326757
|
|
5 0.0000000007 0.0000000131
|
|
|
|
orbital 1 3 3 -34.3306810516 1.0000000000
|
|
1 -0.0000374026 0.0000112844
|
|
2 0.0000000081 0.0000000009
|
|
3 0.0000000028 0.0000000043
|
|
4 -0.0060736556 0.0017421449
|
|
5 -0.0000000004 0.0000000064
|
|
|
|
orbital 1 3 4 -29.1520353297 1.0000000000
|
|
1 -0.0000000927 0.0000000209
|
|
2 -0.0000000195 0.0000000642
|
|
3 0.0260242618 -0.0146977422
|
|
4 0.0000000168 0.0000000439
|
|
5 -0.0434610154 0.0245451550
|
|
|
|
orbital 1 3 5 -14.4995872485 1.0000000000
|
|
1 -0.0000000209 -0.0000000040
|
|
2 -0.0000000078 0.0000000082
|
|
3 -0.2578590459 0.0494663083
|
|
4 0.0000000009 0.0000000116
|
|
5 0.4306259936 -0.0826090640
|
|
|
|
orbital 1 3 6 -13.1640224942 1.0000000000
|
|
1 0.0000000087 0.0000000034
|
|
2 0.0000000043 -0.0000000026
|
|
3 -0.4661738425 -0.1784665886
|
|
4 0.0000000001 -0.0000000047
|
|
5 -0.2595040904 -0.0993466390
|
|
|
|
orbital 1 3 7 -13.1363852263 1.0000000000
|
|
1 -0.0000000201 -0.0000000082
|
|
2 -0.0000000079 0.0000000069
|
|
3 0.1478632477 -0.0585040502
|
|
4 -0.0000000020 0.0000000118
|
|
5 -0.2469332113 0.0977023110
|
|
|
|
orbital 1 3 8 -11.1367476664 1.0000000000
|
|
1 -0.1539723133 0.0230170858
|
|
2 -0.0000000043 0.0000000038
|
|
3 -0.0000000117 -0.0000000072
|
|
4 -0.0032751988 -0.0012109812
|
|
5 -0.0000000095 -0.0000000162
|
|
|
|
orbital 1 3 9 -11.1367476655 1.0000000000
|
|
1 -0.0011479272 -0.0032978337
|
|
2 -0.0000000029 0.0000000025
|
|
3 -0.0000000085 -0.0000000053
|
|
4 -0.0259671987 0.1535023212
|
|
5 -0.0000000065 -0.0000000118
|
|
|
|
orbital 1 3 10 -10.6951019973 1.0000000000
|
|
1 0.0000000184 0.0000000092
|
|
2 0.0000000089 -0.0000000073
|
|
3 0.0300144323 -0.0076819682
|
|
4 0.0000000024 -0.0000000105
|
|
5 -0.0501242199 0.0128289890
|
|
|
|
orbital 1 3 11 -0.9415175016 1.0000000000
|
|
1 0.0000000154 0.0000000132
|
|
2 0.0000000135 -0.0000000102
|
|
3 0.1732951752 -0.0646776802
|
|
4 0.0000000027 -0.0000000105
|
|
5 -0.2894038942 0.1080121563
|
|
|
|
orbital 1 3 12 0.1656678212 1.0000000000
|
|
1 -0.1376252993 0.0895682826
|
|
2 -0.0000000140 0.0000000082
|
|
3 -0.0000000155 -0.0000000153
|
|
4 -0.0002894694 0.0002670932
|
|
5 -0.0000000095 -0.0000000301
|
|
|
|
orbital 1 3 13 0.1656678575 1.0000000000
|
|
1 0.0002128350 -0.0003313976
|
|
2 0.0000000112 -0.0000000129
|
|
3 0.0000000204 0.0000000121
|
|
4 -0.0643361670 0.1510763317
|
|
5 0.0000000177 0.0000000276
|
|
|
|
orbital 1 3 14 1.0970857934 1.0000000000
|
|
1 -0.0386470093 -0.0008369193
|
|
2 -0.0000000200 0.0000000194
|
|
3 -0.0000000324 -0.0000000206
|
|
4 -0.5566459072 -0.0178227525
|
|
5 -0.0000000258 -0.0000000475
|
|
|
|
orbital 1 3 15 1.0970858176 1.0000000000
|
|
1 0.2896278809 0.4756973592
|
|
2 0.0000000049 -0.0000000018
|
|
3 0.0000000056 0.0000000069
|
|
4 -0.0197597943 -0.0332240966
|
|
5 0.0000000024 0.0000000116
|
|
|
|
orbital 1 3 16 1.1931440971 1.0000000000
|
|
1 0.0000000663 0.0000000335
|
|
2 0.0000000262 -0.0000000601
|
|
3 -0.0683547926 0.0404474475
|
|
4 0.0000000014 -0.0000000328
|
|
5 0.1141531174 -0.0675473607
|
|
|
|
orbital 1 3 17 1.4730702124 1.0000000000
|
|
1 -0.0000000000 0.0000000000
|
|
2 -0.0000000000 -0.0000000000
|
|
3 0.0245875742 0.0038938715
|
|
4 0.0000000009 0.0000000001
|
|
5 0.0136871285 0.0021675957
|
|
|
|
orbital 1 3 18 2.6212437052 1.0000000000
|
|
1 -0.1002390103 0.0464647591
|
|
2 -0.0000000001 0.0000000000
|
|
3 0.0000000000 -0.0000000000
|
|
4 -0.0028972647 0.0013431210
|
|
5 -0.0000000000 0.0000000000
|
|
|
|
orbital 1 3 19 2.6212437169 1.0000000000
|
|
1 -0.0006444675 -0.0031277433
|
|
2 -0.0000000000 -0.0000000000
|
|
3 -0.0000000000 -0.0000000000
|
|
4 0.0223006094 0.1082105249
|
|
5 0.0000000000 0.0000000001
|
|
|
|
orbital 1 3 20 4.5028164204 1.1226878180
|
|
1 0.0000000001 -0.0000000006
|
|
2 0.1089004295 -0.9671083607
|
|
3 0.0000000002 -0.0000000015
|
|
4 0.0000000000 -0.0000000000
|
|
5 0.0000000001 -0.0000000011
|
|
|
|
orbital 1 3 21 5.9520647445 0.0443815134
|
|
1 -0.0020402185 0.0020326298
|
|
2 0.0000000000 -0.0000000000
|
|
3 -0.0000000011 0.0000000011
|
|
4 -0.5382212088 0.5361956397
|
|
5 0.0000000001 -0.0000000001
|
|
|
|
orbital 1 3 22 5.9520652749 0.0438953034
|
|
1 0.4288488374 0.6271176413
|
|
2 -0.0000000005 -0.0000000008
|
|
3 0.0000000000 0.0000000000
|
|
4 -0.0016256072 -0.0023772833
|
|
5 0.0000000000 0.0000000000
|
|
|
|
orbital 1 3 23 6.6618955911 0.0000000000
|
|
1 0.0000000000 -0.0000000000
|
|
2 0.0000000004 -0.0000000024
|
|
3 -0.1105805767 0.6407304605
|
|
4 0.0000000002 -0.0000000013
|
|
5 -0.0615567483 0.3566746064
|
|
|
|
orbital 1 3 24 8.5354957222 0.0000000000
|
|
1 -0.0000000000 0.0000000000
|
|
2 0.0000000003 -0.0000000001
|
|
3 0.3256887337 -0.1073373768
|
|
4 -0.0000000014 0.0000000005
|
|
5 -0.5439017994 0.1792539513
|
|
|
|
orbital 1 3 25 10.4342918785 0.0000000000
|
|
1 -0.0000000000 -0.0000000000
|
|
2 0.0000000000 -0.0000000000
|
|
3 -0.0858266300 0.0205169398
|
|
4 -0.0000000000 0.0000000000
|
|
5 -0.0477769870 0.0114211354
|
|
|
|
orbital 1 3 26 10.5105018370 0.0000000000
|
|
1 -0.0000000000 -0.0000000000
|
|
2 -0.0000000000 0.0000000000
|
|
3 -0.0621185593 0.0383098599
|
|
4 0.0000000000 -0.0000000000
|
|
5 0.1037383355 -0.0639776766
|
|
|
|
orbital 1 3 27 11.7588700619 0.0000000000
|
|
1 -0.0000000000 -0.0000000000
|
|
2 0.0544515493 0.0132823863
|
|
3 -0.0000000001 -0.0000000000
|
|
4 0.0000000000 0.0000000000
|
|
5 -0.0000000001 -0.0000000000
|
|
|
|
orbital 1 3 28 12.4330308867 0.0000000000
|
|
1 -0.0000000002 -0.0000000002
|
|
2 0.0000000001 -0.0000000000
|
|
3 0.0749169791 -0.0132564861
|
|
4 -0.0000000000 -0.0000000001
|
|
5 -0.1251117838 0.0221384078
|
|
|
|
orbital 1 3 29 12.8698676631 0.0000000000
|
|
1 0.0000001333 0.0000015105
|
|
2 -0.0000000000 0.0000000000
|
|
3 0.0000000000 -0.0000000000
|
|
4 0.0021522743 0.0496878657
|
|
5 0.0000000000 0.0000000000
|
|
|
|
orbital 1 3 30 12.8698676793 0.0000000000
|
|
1 -0.0302040696 -0.0395124322
|
|
2 -0.0000000000 0.0000000000
|
|
3 -0.0000000000 -0.0000000001
|
|
4 0.0000008662 0.0000012447
|
|
5 0.0000000000 -0.0000000000
|
|
|
|
orbital 1 3 31 17.9005215573 0.0000000000
|
|
1 0.0000001142 -0.0000000404
|
|
2 0.0000000128 0.0000000940
|
|
3 -0.0474307357 0.0276212336
|
|
4 -0.0000000793 0.0000000246
|
|
5 0.0792094776 -0.0461277737
|
|
|
|
orbital 1 3 32 19.2345482080 0.0000000000
|
|
1 -0.0000008227 -0.0000017573
|
|
2 0.0000020005 -0.0000001752
|
|
3 -0.0230842297 0.0054109676
|
|
4 -0.0000017347 0.0000005310
|
|
5 0.0385520225 -0.0090339441
|
|
|
|
orbital 1 4 1 -34.3587414588 1.0000000000
|
|
1 -0.0000000105 0.0000000030
|
|
2 0.0000000001 0.0000000001
|
|
3 0.0117750994 -0.0046907539
|
|
4 0.0000000008 0.0000000062
|
|
5 0.0196644724 -0.0078335772
|
|
|
|
orbital 1 4 2 -34.3306810707 1.0000000000
|
|
1 0.0008062261 0.0062667994
|
|
2 -0.0000059738 -0.0000548710
|
|
3 -0.0000000094 0.0000000038
|
|
4 -0.0000000075 -0.0000000059
|
|
5 -0.0000000039 -0.0000000054
|
|
|
|
orbital 1 4 3 -34.3306810516 1.0000000000
|
|
1 0.0000376717 0.0000403406
|
|
2 0.0042239254 0.0046990717
|
|
3 0.0000000054 -0.0000000041
|
|
4 -0.0000000028 -0.0000000053
|
|
5 0.0000000051 0.0000000047
|
|
|
|
orbital 1 4 4 -29.1520353190 1.0000000000
|
|
1 -0.0000005497 0.0000002462
|
|
2 -0.0000001154 0.0000000450
|
|
3 -0.0061732185 0.0292433365
|
|
4 0.0000001252 0.0000000790
|
|
5 -0.0103095954 0.0488368960
|
|
|
|
orbital 1 4 5 -14.4995872563 1.0000000000
|
|
1 -0.0000002036 0.0000000731
|
|
2 -0.0000000564 0.0000000119
|
|
3 0.0942213923 -0.2450725565
|
|
4 0.0000000747 0.0000000506
|
|
5 0.1573501259 -0.4092724288
|
|
|
|
orbital 1 4 6 -13.1640225052 1.0000000000
|
|
1 0.0000000443 -0.0000000141
|
|
2 0.0000000122 -0.0000000014
|
|
3 -0.4991401639 -0.0052438772
|
|
4 -0.0000000182 -0.0000000139
|
|
5 0.2778553867 0.0029190904
|
|
|
|
orbital 1 4 7 -13.1363852165 1.0000000000
|
|
1 0.0000001440 -0.0000000497
|
|
2 0.0000000405 -0.0000000050
|
|
3 0.0770677332 -0.1390928574
|
|
4 -0.0000000604 -0.0000000406
|
|
5 0.1287039938 -0.2322865423
|
|
|
|
orbital 1 4 8 -11.1367476665 1.0000000000
|
|
1 -0.1429897565 0.0613379021
|
|
2 -0.0037008328 0.0052298665
|
|
3 0.0000000106 -0.0000000034
|
|
4 0.0000000079 0.0000000054
|
|
5 0.0000000029 0.0000000066
|
|
|
|
orbital 1 4 9 -11.1367476655 1.0000000000
|
|
1 0.0042167191 -0.0048236216
|
|
2 -0.0261120235 0.1533837141
|
|
3 -0.0000000197 0.0000000063
|
|
4 -0.0000000152 -0.0000000104
|
|
5 -0.0000000057 -0.0000000124
|
|
|
|
orbital 1 4 10 -10.6951019990 1.0000000000
|
|
1 -0.0000000322 0.0000000102
|
|
2 -0.0000000091 0.0000000012
|
|
3 -0.0278272648 -0.0136205794
|
|
4 0.0000000141 0.0000000100
|
|
5 -0.0464717155 -0.0227464255
|
|
|
|
orbital 1 4 11 -0.9415174451 1.0000000000
|
|
1 -0.0000000570 0.0000000099
|
|
2 -0.0000000199 -0.0000000012
|
|
3 0.1276067770 -0.1339064470
|
|
4 0.0000000266 0.0000000211
|
|
5 0.2131039984 -0.2236245057
|
|
|
|
orbital 1 4 12 0.1656678020 1.0000000000
|
|
1 -0.1592149762 -0.0401737701
|
|
2 -0.0001381966 0.0000134193
|
|
3 0.0000000116 -0.0000000019
|
|
4 0.0000000095 0.0000000072
|
|
5 0.0000000022 0.0000000085
|
|
|
|
orbital 1 4 13 0.1656678575 1.0000000000
|
|
1 0.0000911246 -0.0001047710
|
|
2 -0.0596509745 0.1529872561
|
|
3 -0.0000000130 0.0000000010
|
|
4 -0.0000000098 -0.0000000077
|
|
5 -0.0000000014 -0.0000000091
|
|
|
|
orbital 1 4 14 1.0970857932 1.0000000000
|
|
1 0.0337962615 -0.0219028196
|
|
2 0.4778741070 -0.2857989731
|
|
3 -0.0000000428 0.0000000087
|
|
4 -0.0000000335 -0.0000000263
|
|
5 -0.0000000081 -0.0000000271
|
|
|
|
orbital 1 4 15 1.0970858171 1.0000000000
|
|
1 0.1085409286 0.5461350755
|
|
2 -0.0064223249 -0.0397576337
|
|
3 -0.0000000144 0.0000000026
|
|
4 -0.0000000120 -0.0000000095
|
|
5 -0.0000000027 -0.0000000091
|
|
|
|
orbital 1 4 16 1.1931441082 1.0000000000
|
|
1 0.0000004113 -0.0000000728
|
|
2 0.0000001626 0.0000000022
|
|
3 0.0279567496 -0.0743423446
|
|
4 -0.0000002063 -0.0000001552
|
|
5 0.0466883332 -0.1241523731
|
|
|
|
orbital 1 4 17 1.4730702124 1.0000000000
|
|
1 0.0000000000 0.0000000000
|
|
2 -0.0000000006 0.0000000006
|
|
3 -0.0181713623 0.0170150708
|
|
4 -0.0000000000 -0.0000000000
|
|
5 0.0101154253 -0.0094717542
|
|
|
|
orbital 1 4 18 2.6212436978 1.0000000000
|
|
1 0.1090437529 -0.0179639345
|
|
2 0.0019204322 -0.0003164098
|
|
3 -0.0000000000 0.0000000000
|
|
4 0.0000000001 -0.0000000000
|
|
5 0.0000000000 -0.0000000000
|
|
|
|
orbital 1 4 19 2.6212437168 1.0000000000
|
|
1 0.0004971841 -0.0018817501
|
|
2 -0.0282284575 0.1068475505
|
|
3 0.0000000000 -0.0000000000
|
|
4 0.0000000000 -0.0000000000
|
|
5 0.0000000000 -0.0000000001
|
|
|
|
orbital 1 4 20 4.5028164314 1.1226878146
|
|
1 0.0000000002 0.0000000006
|
|
2 -0.0000000000 0.0000000000
|
|
3 0.0000000006 0.0000000014
|
|
4 0.3673062542 0.9012458044
|
|
5 -0.0000000004 -0.0000000010
|
|
|
|
orbital 1 4 21 5.9520647326 0.0443815153
|
|
1 0.0027607159 -0.0005596367
|
|
2 0.7445718433 -0.1509998759
|
|
3 0.0000000015 -0.0000000003
|
|
4 -0.0000000000 0.0000000000
|
|
5 0.0000000002 -0.0000000000
|
|
|
|
orbital 1 4 22 5.9520652749 0.0438953034
|
|
1 0.5809778597 0.4895436111
|
|
2 -0.0021542583 -0.0018149149
|
|
3 0.0000000000 0.0000000000
|
|
4 -0.0000000007 -0.0000000006
|
|
5 -0.0000000000 -0.0000000000
|
|
|
|
orbital 1 4 23 6.6618956377 0.0000000000
|
|
1 -0.0000000000 0.0000000000
|
|
2 -0.0000000005 0.0000000012
|
|
3 0.2616433771 -0.5952363681
|
|
4 -0.0000000010 0.0000000022
|
|
5 -0.1456486814 0.3313494615
|
|
|
|
orbital 1 4 24 8.5354956639 0.0000000000
|
|
1 0.0000000000 0.0000000000
|
|
2 0.0000000001 -0.0000000015
|
|
3 -0.0237584677 0.3420964688
|
|
4 -0.0000000000 0.0000000003
|
|
5 -0.0396767598 0.5713028123
|
|
|
|
orbital 1 4 25 10.4342918785 0.0000000000
|
|
1 -0.0000000000 -0.0000000000
|
|
2 0.0000000000 -0.0000000000
|
|
3 0.0525029340 -0.0709267028
|
|
4 0.0000000000 0.0000000000
|
|
5 -0.0292267330 0.0394826660
|
|
|
|
orbital 1 4 26 10.5105018369 0.0000000000
|
|
1 -0.0000000000 -0.0000000001
|
|
2 0.0000000001 -0.0000000000
|
|
3 -0.0117556308 0.0720289235
|
|
4 0.0000000002 0.0000000001
|
|
5 -0.0196319684 0.1202886983
|
|
|
|
orbital 1 4 27 11.7588700622 0.0000000000
|
|
1 -0.0000000000 0.0000000000
|
|
2 0.0000000001 0.0000000001
|
|
3 0.0000000000 0.0000000001
|
|
4 0.0102761708 -0.0550980341
|
|
5 0.0000000000 -0.0000000001
|
|
|
|
orbital 1 4 28 12.4330308859 0.0000000000
|
|
1 -0.0000000084 -0.0000000068
|
|
2 0.0000000055 0.0000000050
|
|
3 0.0488260129 -0.0583464635
|
|
4 0.0000000259 0.0000000069
|
|
5 0.0815397136 -0.0974389021
|
|
|
|
orbital 1 4 29 12.8698676627 0.0000000000
|
|
1 0.0000013449 0.0000004393
|
|
2 0.0465936557 0.0173938912
|
|
3 -0.0000000003 -0.0000000004
|
|
4 -0.0000000005 -0.0000000005
|
|
5 0.0000000001 0.0000000001
|
|
|
|
orbital 1 4 30 12.8698676791 0.0000000000
|
|
1 -0.0263252898 -0.0421959389
|
|
2 0.0000006981 0.0000012303
|
|
3 0.0000000002 0.0000000003
|
|
4 0.0000000004 -0.0000000001
|
|
5 -0.0000000000 -0.0000000002
|
|
|
|
orbital 1 4 31 17.9005216032 0.0000000000
|
|
1 -0.0000009091 0.0000018201
|
|
2 -0.0000004067 0.0000029859
|
|
3 -0.0182186397 0.0517736600
|
|
4 -0.0000008366 0.0000011831
|
|
5 -0.0304290478 0.0864659712
|
|
|
|
orbital 1 4 32 19.2345482025 0.0000000000
|
|
1 -0.0000031654 0.0000020059
|
|
2 0.0000013503 0.0000002660
|
|
3 -0.0177454263 0.0157224138
|
|
4 -0.0000026430 -0.0000009437
|
|
5 -0.0296370547 0.0262602115
|
|
|
|
orbital 1 5 1 -34.3571224002 1.0000000000
|
|
1 -0.0304811687 0.0082671251
|
|
2 0.0000000135 0.0000000039
|
|
3 -0.0098983416 0.0026846433
|
|
4 0.0000000023 -0.0000000000
|
|
5 -0.0000005213 0.0000001459
|
|
|
|
orbital 1 5 2 -34.3566438040 1.0000000000
|
|
1 -0.0000000859 0.0000003459
|
|
2 -0.0000000136 0.0000000058
|
|
3 -0.0000000249 0.0000001200
|
|
4 -0.0000000012 0.0000000023
|
|
5 0.0107362373 -0.0462819946
|
|
|
|
orbital 1 5 3 -34.3294816876 1.0000000000
|
|
1 0.0000000083 0.0000000034
|
|
2 0.0052828289 0.0021350686
|
|
3 0.0000000089 -0.0000000087
|
|
4 0.0052828443 0.0021350615
|
|
5 -0.0000000087 -0.0000000131
|
|
|
|
orbital 1 5 4 -29.1330551686 1.0000000000
|
|
1 0.2792777749 0.1940672299
|
|
2 0.0000002243 0.0000000795
|
|
3 -0.0190270257 -0.0132216233
|
|
4 -0.0000000554 -0.0000000815
|
|
5 -0.0000000064 0.0000000659
|
|
|
|
orbital 1 5 5 -14.1262943505 1.0000000000
|
|
1 0.0615114814 0.0230847114
|
|
2 -0.0000000360 -0.0000000128
|
|
3 -0.3487858724 -0.1308962654
|
|
4 0.0000000020 0.0000000131
|
|
5 -0.0000000059 0.0000000056
|
|
|
|
orbital 1 5 6 -13.4204398321 1.0000000000
|
|
1 -0.0000000059 0.0000000005
|
|
2 -0.0000000087 0.0000000112
|
|
3 0.0000000081 -0.0000000042
|
|
4 0.0000000093 0.0000000146
|
|
5 0.3350112730 0.2015595328
|
|
|
|
orbital 1 5 7 -13.1375435838 1.0000000000
|
|
1 -0.0426863127 -0.0327653378
|
|
2 -0.0000000015 -0.0000000108
|
|
3 -0.3504188717 -0.2689759257
|
|
4 -0.0000000024 -0.0000000074
|
|
5 0.0000000070 0.0000000151
|
|
|
|
orbital 1 5 8 -11.0855568354 1.0000000000
|
|
1 0.0000000004 -0.0000000014
|
|
2 -0.0089607708 0.0781706233
|
|
3 -0.0000000016 0.0000000030
|
|
4 -0.0089607676 0.0781706222
|
|
5 0.0000000004 0.0000000027
|
|
|
|
orbital 1 5 9 -10.8760294519 1.0000000000
|
|
1 -0.0000000084 0.0000000036
|
|
2 0.0000000031 0.0000000053
|
|
3 0.0000000134 -0.0000000019
|
|
4 0.0000000066 0.0000000057
|
|
5 0.0673212429 0.0289174678
|
|
|
|
orbital 1 5 10 -10.7875709957 1.0000000000
|
|
1 -0.1028497326 0.0407966270
|
|
2 0.0000000112 -0.0000000036
|
|
3 0.0045113343 -0.0017894831
|
|
4 -0.0000000044 -0.0000000041
|
|
5 -0.0000000032 -0.0000000020
|
|
|
|
orbital 1 5 11 -1.2170848547 1.0000000000
|
|
1 0.0659833134 0.3440874842
|
|
2 0.0000000003 0.0000000046
|
|
3 -0.0384416828 -0.2004645128
|
|
4 0.0000000046 0.0000000090
|
|
5 -0.0000000110 -0.0000000068
|
|
|
|
orbital 1 5 12 -0.7514101625 1.0000000000
|
|
1 -0.3105910572 -0.4494366221
|
|
2 0.0000000170 0.0000000026
|
|
3 -0.0874769789 -0.1265823569
|
|
4 0.0000000119 -0.0000000039
|
|
5 0.0000003401 0.0000004646
|
|
|
|
orbital 1 5 13 -0.7348225339 1.0000000000
|
|
1 -0.0000003989 0.0000002857
|
|
2 0.0000000052 0.0000000012
|
|
3 -0.0000001289 0.0000001041
|
|
4 -0.0000000003 0.0000000140
|
|
5 -0.4689523593 0.3386150791
|
|
|
|
orbital 1 5 14 0.1984517153 1.0000000000
|
|
1 0.0000000036 0.0000000027
|
|
2 -0.2580887079 -0.1910868070
|
|
3 0.0000000015 -0.0000000058
|
|
4 -0.2580887061 -0.1910868068
|
|
5 -0.0000000065 -0.0000000034
|
|
|
|
orbital 1 5 15 0.6079843616 1.0000000000
|
|
1 -0.0000000044 0.0000000135
|
|
2 0.4111369122 -0.0713573104
|
|
3 0.0000000231 -0.0000000239
|
|
4 -0.4111369039 0.0713573175
|
|
5 -0.0000000031 -0.0000000284
|
|
|
|
orbital 1 5 16 1.5108721523 1.0000000000
|
|
1 0.0015901684 -0.0027206008
|
|
2 0.0000000103 -0.0000000114
|
|
3 0.0374313807 -0.0640400026
|
|
4 0.0000000242 0.0000000023
|
|
5 0.0000000161 0.0000000504
|
|
|
|
orbital 1 5 17 1.7093499156 1.0000000000
|
|
1 0.0000000003 0.0000000001
|
|
2 -0.2330102802 -0.1146529193
|
|
3 0.0000000006 0.0000000003
|
|
4 -0.2330102799 -0.1146529192
|
|
5 -0.0000000000 0.0000000000
|
|
|
|
orbital 1 5 18 1.8370285403 1.0000000000
|
|
1 0.0000000002 0.0000000000
|
|
2 0.0000000001 0.0000000000
|
|
3 0.0000000010 0.0000000003
|
|
4 -0.0000000001 -0.0000000000
|
|
5 0.1695107728 0.0543570723
|
|
|
|
orbital 1 5 19 2.8843438557 1.0000000000
|
|
1 -0.0000000000 -0.0000000000
|
|
2 -0.0000000004 -0.0000000006
|
|
3 -0.0000000002 -0.0000000003
|
|
4 0.0000000004 0.0000000006
|
|
5 -0.0344124586 -0.0537610431
|
|
|
|
orbital 1 5 20 5.8996114794 0.2326407263
|
|
1 0.0000000036 -0.0000000003
|
|
2 0.5473149509 -0.0480951484
|
|
3 0.0000000018 -0.0000000002
|
|
4 0.5473148771 -0.0480951419
|
|
5 0.0000000000 0.0000000000
|
|
|
|
orbital 1 5 21 5.9904356382 0.0257788908
|
|
1 0.0000000000 0.0000000000
|
|
2 0.2309701382 0.4978127387
|
|
3 0.0000000000 0.0000000000
|
|
4 -0.2309701696 -0.4978128063
|
|
5 0.0000000001 0.0000000003
|
|
|
|
orbital 1 5 22 6.2730975934 0.0035070795
|
|
1 -0.3486988496 -0.4789004022
|
|
2 0.0000000019 0.0000000026
|
|
3 0.0241823353 0.0332118392
|
|
4 0.0000000019 0.0000000026
|
|
5 0.0000000001 0.0000000001
|
|
|
|
orbital 1 5 23 7.5215236327 0.0000000000
|
|
1 -0.0014815057 -0.0084456398
|
|
2 0.0000000003 0.0000000017
|
|
3 -0.1259025224 -0.7177342253
|
|
4 0.0000000003 0.0000000017
|
|
5 -0.0000000010 -0.0000000060
|
|
|
|
orbital 1 5 24 9.8885516020 0.0000000000
|
|
1 0.0000000000 -0.0000000000
|
|
2 0.0000000003 -0.0000000007
|
|
3 0.0000000040 -0.0000000083
|
|
4 -0.0000000003 0.0000000007
|
|
5 -0.2821592096 0.5773789418
|
|
|
|
orbital 1 5 25 11.1923222885 0.0000000000
|
|
1 -0.0509825776 -0.1221343537
|
|
2 0.0000000000 0.0000000000
|
|
3 -0.0305193976 -0.0731125626
|
|
4 0.0000000000 0.0000000000
|
|
5 -0.0000000001 -0.0000000003
|
|
|
|
orbital 1 5 26 12.0567037927 0.0000000000
|
|
1 0.1030493975 0.0242090091
|
|
2 0.0000000001 -0.0000000003
|
|
3 -0.0582907412 -0.0136940254
|
|
4 -0.0000000001 0.0000000000
|
|
5 -0.0000000005 0.0000000001
|
|
|
|
orbital 1 5 27 12.1325741484 0.0000000000
|
|
1 0.0000000000 -0.0000000000
|
|
2 0.0000000000 0.0000000000
|
|
3 0.0000000000 -0.0000000000
|
|
4 0.0000000000 -0.0000000000
|
|
5 0.0834866037 -0.0554933598
|
|
|
|
orbital 1 5 28 12.8042930775 0.0000000000
|
|
1 0.0000000002 0.0000000000
|
|
2 -0.0154886038 -0.0220637379
|
|
3 0.0000000002 -0.0000000001
|
|
4 -0.0154886038 -0.0220637380
|
|
5 0.0000000001 -0.0000000001
|
|
|
|
orbital 1 5 29 12.9354083767 0.0000000000
|
|
1 0.0000000002 -0.0000000001
|
|
2 -0.0064309904 -0.0068650932
|
|
3 0.0000000001 -0.0000000001
|
|
4 0.0064309909 0.0068650933
|
|
5 0.0000000004 0.0000000002
|
|
|
|
orbital 1 5 30 14.0837602396 0.0000000000
|
|
1 -0.1520498996 -0.0100983899
|
|
2 -0.0000000024 0.0000000017
|
|
3 0.0230402384 0.0015302075
|
|
4 0.0000000038 -0.0000000076
|
|
5 0.0000000052 -0.0000000118
|
|
|
|
orbital 1 5 31 17.8580242768 0.0000000000
|
|
1 -0.0000006310 -0.0000003125
|
|
2 -0.0000014588 -0.0000004628
|
|
3 -0.0000006120 0.0000002121
|
|
4 -0.0000014275 -0.0000003777
|
|
5 0.0827889571 -0.0199150594
|
|
|
|
orbital 1 5 32 17.9890098827 0.0000000000
|
|
1 -0.0302552890 0.0627577931
|
|
2 -0.0000011715 0.0000064171
|
|
3 -0.0218728345 0.0453801273
|
|
4 -0.0000031366 0.0000049037
|
|
5 0.0000025909 -0.0000020858
|
|
|
|
orbital 1 6 1 -34.3571224002 1.0000000000
|
|
1 0.0134149460 -0.0285917129
|
|
2 -0.0000000137 -0.0000000166
|
|
3 -0.0043563243 0.0092847736
|
|
4 -0.0000000221 0.0000000082
|
|
5 -0.0000002301 0.0000004922
|
|
|
|
orbital 1 6 2 -34.3566438040 1.0000000000
|
|
1 -0.0000000912 0.0000003464
|
|
2 -0.0000000084 -0.0000000144
|
|
3 0.0000000262 -0.0000001152
|
|
4 -0.0000000039 0.0000000094
|
|
5 -0.0121318166 0.0459359195
|
|
|
|
orbital 1 6 3 -34.3294816876 1.0000000000
|
|
1 0.0000000001 -0.0000000002
|
|
2 -0.0024480006 -0.0051453126
|
|
3 -0.0000000090 -0.0000000040
|
|
4 0.0024479967 0.0051453015
|
|
5 -0.0000000068 0.0000000031
|
|
|
|
orbital 1 6 4 -29.1330551648 1.0000000000
|
|
1 0.0934449787 0.3269958900
|
|
2 -0.0000001810 -0.0000003105
|
|
3 0.0063662293 0.0222780342
|
|
4 -0.0000000902 0.0000001549
|
|
5 0.0000000454 0.0000000552
|
|
|
|
orbital 1 6 5 -14.1262943502 1.0000000000
|
|
1 0.0510444777 0.0413644870
|
|
2 0.0000000956 0.0000000496
|
|
3 0.2894355500 0.2345473640
|
|
4 0.0000000052 -0.0000000318
|
|
5 -0.0000000222 -0.0000000040
|
|
|
|
orbital 1 6 6 -13.4204398321 1.0000000000
|
|
1 -0.0000000132 -0.0000000038
|
|
2 0.0000000255 0.0000000080
|
|
3 0.0000000104 -0.0000000154
|
|
4 0.0000000051 -0.0000000102
|
|
5 -0.3672202926 0.1341941146
|
|
|
|
orbital 1 6 7 -13.1375435837 1.0000000000
|
|
1 0.0516399734 -0.0151328547
|
|
2 -0.0000000492 0.0000000068
|
|
3 -0.4239207820 0.1242280482
|
|
4 0.0000000068 0.0000000094
|
|
5 0.0000000129 -0.0000000122
|
|
|
|
orbital 1 6 8 -11.0855568354 1.0000000000
|
|
1 0.0000000121 0.0000000068
|
|
2 0.0593371108 0.0516724769
|
|
3 -0.0000000081 0.0000000150
|
|
4 -0.0593371379 -0.0516724765
|
|
5 0.0000000076 0.0000000008
|
|
|
|
orbital 1 6 9 -10.8760294519 1.0000000000
|
|
1 0.0000000053 -0.0000000021
|
|
2 -0.0000000059 0.0000000032
|
|
3 0.0000000029 0.0000000040
|
|
4 0.0000000005 -0.0000000002
|
|
5 0.0728545972 -0.0077831398
|
|
|
|
orbital 1 6 10 -10.7875709955 1.0000000000
|
|
1 0.0766972414 0.0797493425
|
|
2 0.0000000847 0.0000000175
|
|
3 0.0033642069 0.0034980310
|
|
4 0.0000000018 -0.0000000272
|
|
5 -0.0000000206 0.0000000022
|
|
|
|
orbital 1 6 11 -1.2170848542 1.0000000000
|
|
1 -0.3286976355 -0.1212757254
|
|
2 -0.0000001310 -0.0000000269
|
|
3 -0.1914984591 -0.0706548662
|
|
4 0.0000000116 0.0000000443
|
|
5 0.0000000584 -0.0000000004
|
|
|
|
orbital 1 6 12 -0.7514101618 1.0000000000
|
|
1 -0.5408309708 -0.0772129127
|
|
2 -0.0000001726 -0.0000000265
|
|
3 0.1523233107 0.0217468665
|
|
4 0.0000000210 0.0000000536
|
|
5 -0.0000004880 -0.0000000927
|
|
|
|
orbital 1 6 13 -0.7348225338 1.0000000000
|
|
1 0.0000005104 0.0000000287
|
|
2 -0.0000000532 -0.0000000073
|
|
3 -0.0000001589 0.0000000246
|
|
4 -0.0000000034 0.0000000236
|
|
5 -0.5776365270 -0.0302077708
|
|
|
|
orbital 1 6 14 0.1984517153 1.0000000000
|
|
1 -0.0000000159 -0.0000000025
|
|
2 -0.2940536699 0.1290595466
|
|
3 0.0000000027 -0.0000000202
|
|
4 0.2940537095 -0.1290595550
|
|
5 -0.0000000107 0.0000000032
|
|
|
|
orbital 1 6 15 0.6079843616 1.0000000000
|
|
1 0.0000000176 0.0000000043
|
|
2 0.3760493470 -0.1808653785
|
|
3 -0.0000000060 0.0000000227
|
|
4 0.3760493895 -0.1808653459
|
|
5 0.0000000149 -0.0000000083
|
|
|
|
orbital 1 6 16 1.5108721524 1.0000000000
|
|
1 0.0031397985 0.0002674754
|
|
2 0.0000000772 -0.0000000014
|
|
3 -0.0739093160 -0.0062965780
|
|
4 -0.0000000381 -0.0000000140
|
|
5 -0.0000000107 0.0000000104
|
|
|
|
orbital 1 6 17 1.7093499156 1.0000000000
|
|
1 -0.0000000000 -0.0000000000
|
|
2 -0.1079548766 -0.2361881183
|
|
3 -0.0000000000 -0.0000000000
|
|
4 0.1079548765 0.2361881180
|
|
5 -0.0000000018 -0.0000000039
|
|
|
|
orbital 1 6 18 1.8370285403 1.0000000000
|
|
1 0.0000000002 0.0000000000
|
|
2 0.0000000055 0.0000000006
|
|
3 -0.0000000011 -0.0000000001
|
|
4 -0.0000000055 -0.0000000006
|
|
5 -0.1769701532 -0.0192394984
|
|
|
|
orbital 1 6 19 2.8843438557 1.0000000000
|
|
1 0.0000000000 -0.0000000001
|
|
2 0.0000000001 -0.0000000006
|
|
3 -0.0000000001 0.0000000004
|
|
4 -0.0000000001 0.0000000006
|
|
5 -0.0109524881 0.0628848954
|
|
|
|
orbital 1 6 20 5.8996114794 0.2052695030
|
|
1 0.0000000000 0.0000000000
|
|
2 0.0545063071 -0.5467136922
|
|
3 0.0000000000 0.0000000000
|
|
4 -0.0545062997 0.5467136185
|
|
5 0.0000000000 -0.0000000004
|
|
|
|
orbital 1 6 21 5.9904356382 0.0000000000
|
|
1 -0.0000000002 0.0000000057
|
|
2 -0.0232370050 0.5482925945
|
|
3 -0.0000000001 0.0000000024
|
|
4 -0.0232370082 0.5482926690
|
|
5 -0.0000000000 -0.0000000000
|
|
|
|
orbital 1 6 22 6.2730975933 0.0000000000
|
|
1 0.5629730531 0.1843849894
|
|
2 -0.0000000049 -0.0000000016
|
|
3 0.0390422945 0.0127871361
|
|
4 -0.0000000049 -0.0000000016
|
|
5 0.0000000001 0.0000000000
|
|
|
|
orbital 1 6 23 7.5215236327 0.0000000000
|
|
1 0.0069598917 0.0050083528
|
|
2 0.0000000014 0.0000000010
|
|
3 -0.5914711738 -0.4256239112
|
|
4 0.0000000014 0.0000000010
|
|
5 -0.0000000049 -0.0000000035
|
|
|
|
orbital 1 6 24 9.8885516020 0.0000000000
|
|
1 0.0000000000 -0.0000000001
|
|
2 -0.0000000001 0.0000000007
|
|
3 -0.0000000011 0.0000000091
|
|
4 0.0000000001 -0.0000000007
|
|
5 0.0781653690 -0.6378639644
|
|
|
|
orbital 1 6 25 11.1923222885 0.0000000000
|
|
1 -0.1282637383 -0.0326257108
|
|
2 0.0000000001 0.0000000000
|
|
3 0.0767817597 0.0195305355
|
|
4 0.0000000001 0.0000000000
|
|
5 0.0000000003 0.0000000001
|
|
|
|
orbital 1 6 26 12.0567037927 0.0000000000
|
|
1 -0.1021440014 -0.0277823244
|
|
2 -0.0000000003 -0.0000000001
|
|
3 -0.0577785959 -0.0157153009
|
|
4 0.0000000001 -0.0000000001
|
|
5 -0.0000000001 -0.0000000004
|
|
|
|
orbital 1 6 27 12.1325741484 0.0000000000
|
|
1 0.0000000000 0.0000000000
|
|
2 0.0000000000 -0.0000000000
|
|
3 0.0000000000 0.0000000000
|
|
4 -0.0000000000 0.0000000000
|
|
5 -0.0077622002 0.0999463567
|
|
|
|
orbital 1 6 28 12.8042930776 0.0000000000
|
|
1 -0.0000000001 -0.0000000000
|
|
2 -0.0031198898 -0.0267763266
|
|
3 -0.0000000000 0.0000000000
|
|
4 0.0031198899 0.0267763266
|
|
5 -0.0000000001 -0.0000000002
|
|
|
|
orbital 1 6 29 12.9354083767 0.0000000000
|
|
1 -0.0000000000 0.0000000001
|
|
2 -0.0089121912 -0.0030099819
|
|
3 -0.0000000000 -0.0000000001
|
|
4 -0.0089121915 -0.0030099820
|
|
5 0.0000000000 -0.0000000001
|
|
|
|
orbital 1 6 30 14.0837602395 0.0000000000
|
|
1 0.1502997910 0.0251223052
|
|
2 0.0000000083 0.0000000089
|
|
3 0.0227750416 0.0038067978
|
|
4 0.0000000077 -0.0000000152
|
|
5 -0.0000000050 0.0000000122
|
|
|
|
orbital 1 6 31 17.8580242866 0.0000000000
|
|
1 -0.0000009899 -0.0000009361
|
|
2 0.0000018981 -0.0000021680
|
|
3 -0.0000003105 0.0000003712
|
|
4 -0.0000017979 0.0000022508
|
|
5 -0.0100846901 0.0845510111
|
|
|
|
orbital 1 6 32 17.9890096873 0.0000000000
|
|
1 0.0679533015 -0.0154096617
|
|
2 -0.0000030968 0.0000036361
|
|
3 -0.0491326754 0.0111440974
|
|
4 0.0000034493 -0.0000045144
|
|
5 -0.0000007728 0.0000030439
|
|
|
|
orbital 1 7 1 -34.3587414588 1.0000000000
|
|
1 0.0000000016 0.0000000011
|
|
2 -0.0000000006 -0.0000000005
|
|
3 -0.0114202650 0.0054985011
|
|
4 0.0000000026 0.0000000005
|
|
5 -0.0190719061 0.0091825273
|
|
|
|
orbital 1 7 2 -34.3306810707 1.0000000000
|
|
1 0.0016443770 0.0061006622
|
|
2 -0.0000159742 -0.0000596672
|
|
3 0.0000000004 -0.0000000002
|
|
4 -0.0000000054 0.0000000011
|
|
5 -0.0000000021 0.0000000014
|
|
|
|
orbital 1 7 3 -34.3306810516 1.0000000000
|
|
1 0.0000149253 0.0000599342
|
|
2 0.0015157921 0.0061338785
|
|
3 -0.0000000001 0.0000000003
|
|
4 -0.0000000041 0.0000000021
|
|
5 -0.0000000017 0.0000000017
|
|
|
|
orbital 1 7 4 -29.1520353310 1.0000000000
|
|
1 -0.0000000004 0.0000000393
|
|
2 0.0000000342 -0.0000000297
|
|
3 -0.0119656598 -0.0273882227
|
|
4 0.0000000517 -0.0000000096
|
|
5 -0.0199826841 -0.0457385413
|
|
|
|
orbital 1 7 5 -14.4995872579 1.0000000000
|
|
1 -0.0000000108 0.0000000060
|
|
2 0.0000000118 0.0000000054
|
|
3 -0.1195768448 0.2337510756
|
|
4 0.0000000079 0.0000000092
|
|
5 -0.1996940011 0.3903656247
|
|
|
|
orbital 1 7 6 -13.1640225053 1.0000000000
|
|
1 -0.0000000021 0.0000000000
|
|
2 0.0000000011 0.0000000016
|
|
3 0.1067897677 -0.4876108301
|
|
4 0.0000000005 0.0000000015
|
|
5 -0.0594464554 0.2714373978
|
|
|
|
orbital 1 7 7 -13.1363852173 1.0000000000
|
|
1 -0.0000000059 0.0000000005
|
|
2 0.0000000032 0.0000000039
|
|
3 0.1288740928 -0.0931544289
|
|
4 0.0000000022 0.0000000049
|
|
5 0.2152210111 -0.1555688181
|
|
|
|
orbital 1 7 8 -11.1367476665 1.0000000000
|
|
1 -0.0749046362 0.1364898525
|
|
2 -0.0013597316 0.0027234583
|
|
3 0.0000000009 0.0000000001
|
|
4 0.0000000007 0.0000000016
|
|
5 0.0000000019 0.0000000003
|
|
|
|
orbital 1 7 9 -11.1367476655 1.0000000000
|
|
1 -0.0026679271 0.0014656855
|
|
2 0.1334414972 -0.0802094182
|
|
3 -0.0000000019 -0.0000000002
|
|
4 -0.0000000012 -0.0000000031
|
|
5 -0.0000000035 -0.0000000008
|
|
|
|
orbital 1 7 10 -10.6951019991 1.0000000000
|
|
1 0.0000000053 -0.0000000004
|
|
2 -0.0000000022 -0.0000000045
|
|
3 0.0265322547 -0.0159974069
|
|
4 -0.0000000016 -0.0000000044
|
|
5 0.0443090162 -0.0267157607
|
|
|
|
orbital 1 7 11 -0.9415174452 1.0000000000
|
|
1 0.0000000030 -0.0000000014
|
|
2 -0.0000000005 -0.0000000054
|
|
3 0.1733035389 -0.0646552325
|
|
4 -0.0000000010 -0.0000000031
|
|
5 0.2894179035 -0.1079746093
|
|
|
|
orbital 1 7 12 0.1656678020 1.0000000000
|
|
1 -0.0913672344 0.1364381368
|
|
2 -0.0000713301 0.0001072014
|
|
3 -0.0000000006 -0.0000000002
|
|
4 -0.0000000006 -0.0000000009
|
|
5 -0.0000000017 -0.0000000003
|
|
|
|
orbital 1 7 13 0.1656678575 1.0000000000
|
|
1 0.0001233435 -0.0000369719
|
|
2 -0.1571504380 0.0476138817
|
|
3 -0.0000000008 -0.0000000013
|
|
4 -0.0000000003 -0.0000000021
|
|
5 -0.0000000034 -0.0000000017
|
|
|
|
orbital 1 7 14 1.0970857931 1.0000000000
|
|
1 -0.0384953876 0.0095075580
|
|
2 -0.5406636162 0.1333310499
|
|
3 0.0000000008 0.0000000011
|
|
4 0.0000000013 0.0000000018
|
|
5 0.0000000042 0.0000000007
|
|
|
|
orbital 1 7 15 1.0970858171 1.0000000000
|
|
1 -0.4575009163 -0.3174699882
|
|
2 0.0325690635 0.0226173574
|
|
3 0.0000000005 0.0000000013
|
|
4 0.0000000007 0.0000000014
|
|
5 0.0000000036 0.0000000010
|
|
|
|
orbital 1 7 16 1.1931441016 1.0000000000
|
|
1 -0.0000000042 0.0000000050
|
|
2 0.0000000079 0.0000000102
|
|
3 0.0663329843 -0.0436843045
|
|
4 0.0000000054 0.0000000061
|
|
5 0.1107764782 -0.0729530477
|
|
|
|
orbital 1 7 17 1.4730702123 1.0000000000
|
|
1 -0.0000000001 0.0000000000
|
|
2 0.0000000002 -0.0000000008
|
|
3 0.0038805705 -0.0245896770
|
|
4 0.0000000001 0.0000000001
|
|
5 -0.0021601914 0.0136882990
|
|
|
|
orbital 1 7 18 2.6212436978 1.0000000000
|
|
1 0.0241717263 -0.1078377087
|
|
2 0.0004257054 -0.0018989756
|
|
3 -0.0000000000 -0.0000000000
|
|
4 0.0000000003 -0.0000000001
|
|
5 0.0000000003 0.0000000001
|
|
|
|
orbital 1 7 19 2.6212437168 1.0000000000
|
|
1 -0.0015822677 0.0011330330
|
|
2 0.0898538465 -0.0643391949
|
|
3 -0.0000000001 0.0000000000
|
|
4 0.0000000001 -0.0000000000
|
|
5 0.0000000001 0.0000000001
|
|
|
|
orbital 1 7 20 4.5028164314 1.1226878146
|
|
1 -0.0000000007 -0.0000000001
|
|
2 0.0000000001 0.0000000000
|
|
3 -0.0000000015 -0.0000000003
|
|
4 -0.9552110763 -0.1863590193
|
|
5 0.0000000011 0.0000000002
|
|
|
|
orbital 1 7 21 5.9520647326 0.0443815153
|
|
1 -0.0025711732 -0.0011508418
|
|
2 -0.6934293038 -0.3103932873
|
|
3 -0.0000000013 -0.0000000006
|
|
4 -0.0000000001 0.0000000000
|
|
5 -0.0000000003 -0.0000000001
|
|
|
|
orbital 1 7 22 5.9520652749 0.0438953034
|
|
1 0.3234226305 -0.6874489234
|
|
2 -0.0011992667 0.0025489461
|
|
3 0.0000000000 -0.0000000000
|
|
4 -0.0000000004 0.0000000009
|
|
5 -0.0000000001 0.0000000000
|
|
|
|
orbital 1 7 23 6.6618956377 0.0000000000
|
|
1 0.0000000000 -0.0000000001
|
|
2 -0.0000000011 -0.0000000009
|
|
3 0.4730274126 0.4461038642
|
|
4 -0.0000000019 -0.0000000016
|
|
5 -0.2633195599 -0.2483320629
|
|
|
|
orbital 1 7 24 8.5354956639 0.0000000000
|
|
1 -0.0000000001 -0.0000000001
|
|
2 -0.0000000006 0.0000000014
|
|
3 0.0787867846 -0.3337470620
|
|
4 -0.0000000000 -0.0000000003
|
|
5 0.1315743237 -0.5573592611
|
|
|
|
orbital 1 7 25 10.4342918785 0.0000000000
|
|
1 0.0000000003 0.0000000002
|
|
2 0.0000000005 -0.0000000003
|
|
3 -0.0606758191 -0.0640749579
|
|
4 0.0000000002 -0.0000000001
|
|
5 0.0337763214 0.0356685149
|
|
|
|
orbital 1 7 26 10.5105018369 0.0000000000
|
|
1 0.0000000000 0.0000000003
|
|
2 0.0000000003 -0.0000000003
|
|
3 0.0610325464 -0.0400173578
|
|
4 0.0000000000 -0.0000000001
|
|
5 0.1019246888 -0.0668292080
|
|
|
|
orbital 1 7 27 11.7588700622 0.0000000000
|
|
1 -0.0000000000 0.0000000002
|
|
2 0.0000000006 0.0000000003
|
|
3 -0.0000000001 0.0000000004
|
|
4 -0.0432993236 -0.0355887850
|
|
5 -0.0000000001 -0.0000000001
|
|
|
|
orbital 1 7 28 12.4330308859 0.0000000000
|
|
1 0.0000000099 -0.0000000065
|
|
2 0.0000000031 0.0000000025
|
|
3 -0.0195177450 0.0735346634
|
|
4 0.0000000020 0.0000000023
|
|
5 -0.0325946887 0.1228033080
|
|
|
|
orbital 1 7 29 12.8698676628 0.0000000000
|
|
1 0.0000016205 0.0000013743
|
|
2 0.0307517125 0.0390876975
|
|
3 0.0000000001 -0.0000000008
|
|
4 -0.0000000008 -0.0000000019
|
|
5 0.0000000013 0.0000000015
|
|
|
|
orbital 1 7 30 12.8698676791 0.0000000000
|
|
1 -0.0475842608 0.0144656999
|
|
2 0.0000021176 -0.0000002012
|
|
3 -0.0000000013 -0.0000000007
|
|
4 -0.0000000014 0.0000000009
|
|
5 0.0000000022 0.0000000005
|
|
|
|
orbital 1 7 31 17.9005215784 0.0000000000
|
|
1 -0.0000010449 -0.0000009097
|
|
2 -0.0000022766 0.0000006702
|
|
3 0.0066511439 -0.0544837584
|
|
4 -0.0000002953 0.0000004690
|
|
5 0.0111092935 -0.0909855671
|
|
|
|
orbital 1 7 32 19.2345482204 0.0000000000
|
|
1 -0.0000023822 -0.0000034839
|
|
2 0.0000002489 0.0000042105
|
|
3 -0.0101535596 -0.0214253221
|
|
4 0.0000005845 0.0000002687
|
|
5 -0.0169551724 -0.0357828255
|
|
|
|
orbital 1 8 1 -34.3571224002 1.0000000000
|
|
1 0.0289360625 0.0126550750
|
|
2 0.0000000037 0.0000000005
|
|
3 -0.0093965965 -0.0041095650
|
|
4 -0.0000000004 -0.0000000006
|
|
5 -0.0000005008 -0.0000002189
|
|
|
|
orbital 1 8 2 -34.3566438040 1.0000000000
|
|
1 0.0000002489 0.0000002680
|
|
2 -0.0000000042 -0.0000000082
|
|
3 -0.0000000766 -0.0000000844
|
|
4 -0.0000000023 -0.0000000048
|
|
5 0.0327772514 0.0343939130
|
|
|
|
orbital 1 8 3 -34.3294816877 1.0000000000
|
|
1 -0.0000000040 -0.0000000010
|
|
2 -0.0052563887 0.0021993470
|
|
3 -0.0000000010 0.0000000016
|
|
4 0.0052563957 -0.0021993535
|
|
5 0.0000000008 0.0000000020
|
|
|
|
orbital 1 8 4 -29.1330551695 1.0000000000
|
|
1 0.1204523823 0.3180399426
|
|
2 0.0000001065 0.0000000202
|
|
3 0.0082063100 0.0216678785
|
|
4 0.0000000177 0.0000000102
|
|
5 0.0000000373 -0.0000000009
|
|
|
|
orbital 1 8 5 -14.1262943505 1.0000000000
|
|
1 -0.0097820469 0.0649682877
|
|
2 -0.0000000128 -0.0000000181
|
|
3 -0.0554667617 0.3683868134
|
|
4 -0.0000000041 -0.0000000039
|
|
5 -0.0000000088 -0.0000000041
|
|
|
|
orbital 1 8 6 -13.4204398322 1.0000000000
|
|
1 -0.0000000009 -0.0000000105
|
|
2 0.0000000036 0.0000000111
|
|
3 -0.0000000100 0.0000000040
|
|
4 0.0000000023 0.0000000035
|
|
5 0.2775709239 -0.2753419314
|
|
|
|
orbital 1 8 7 -13.1375435838 1.0000000000
|
|
1 0.0349158992 -0.0409459158
|
|
2 -0.0000000005 0.0000000033
|
|
3 -0.2866303146 0.3361316728
|
|
4 -0.0000000010 0.0000000028
|
|
5 -0.0000000018 0.0000000053
|
|
|
|
orbital 1 8 8 -11.0855568354 1.0000000000
|
|
1 0.0000000023 0.0000000042
|
|
2 -0.0786031986 -0.0035326766
|
|
3 0.0000000023 -0.0000000004
|
|
4 0.0786031942 0.0035326711
|
|
5 -0.0000000024 -0.0000000017
|
|
|
|
orbital 1 8 9 -10.8760294519 1.0000000000
|
|
1 0.0000000007 -0.0000000022
|
|
2 0.0000000005 0.0000000025
|
|
3 -0.0000000012 -0.0000000003
|
|
4 0.0000000003 0.0000000010
|
|
5 0.0727890430 0.0083740478
|
|
|
|
orbital 1 8 10 -10.7875709956 1.0000000000
|
|
1 0.0375594769 -0.1040755486
|
|
2 0.0000000057 0.0000000140
|
|
3 0.0016474793 -0.0045651030
|
|
4 0.0000000033 0.0000000029
|
|
5 0.0000000053 0.0000000062
|
|
|
|
orbital 1 8 11 -1.2170848547 1.0000000000
|
|
1 -0.1583572084 0.3125267781
|
|
2 -0.0000000150 -0.0000000344
|
|
3 -0.0922585025 0.1820772890
|
|
4 -0.0000000073 -0.0000000077
|
|
5 0.0000000005 -0.0000000360
|
|
|
|
orbital 1 8 12 -0.7514101626 1.0000000000
|
|
1 -0.3144595986 0.4467384405
|
|
2 -0.0000000156 -0.0000000291
|
|
3 0.0885665538 -0.1258224471
|
|
4 -0.0000000076 -0.0000000070
|
|
5 -0.0000003234 0.0000004337
|
|
|
|
orbital 1 8 13 -0.7348225339 1.0000000000
|
|
1 -0.0000003538 0.0000003558
|
|
2 -0.0000000062 -0.0000000180
|
|
3 0.0000001182 -0.0000001056
|
|
4 -0.0000000037 -0.0000000041
|
|
5 0.4190468227 -0.3987182528
|
|
|
|
orbital 1 8 14 0.1984517152 1.0000000000
|
|
1 -0.0000000033 -0.0000000013
|
|
2 0.1536487599 -0.2819858250
|
|
3 -0.0000000010 -0.0000000002
|
|
4 -0.1536487540 0.2819858266
|
|
5 0.0000000026 -0.0000000000
|
|
|
|
orbital 1 8 15 0.6079843616 1.0000000000
|
|
1 0.0000000017 0.0000000107
|
|
2 0.0745819258 0.4105641899
|
|
3 0.0000000031 0.0000000016
|
|
4 0.0745819274 0.4105641995
|
|
5 -0.0000000035 -0.0000000047
|
|
|
|
orbital 1 8 16 1.5108721522 1.0000000000
|
|
1 0.0021370639 -0.0023158480
|
|
2 0.0000000014 0.0000000362
|
|
3 -0.0503050022 0.0545127702
|
|
4 0.0000000010 0.0000000146
|
|
5 0.0000000062 0.0000000155
|
|
|
|
orbital 1 8 17 1.7093499156 1.0000000000
|
|
1 0.0000000000 -0.0000000000
|
|
2 0.2180807984 -0.1409959148
|
|
3 -0.0000000000 -0.0000000000
|
|
4 -0.2180807981 0.1409959146
|
|
5 0.0000000036 -0.0000000023
|
|
|
|
orbital 1 8 18 1.8370285403 1.0000000000
|
|
1 -0.0000000001 0.0000000001
|
|
2 -0.0000000024 0.0000000049
|
|
3 0.0000000005 -0.0000000010
|
|
4 0.0000000024 -0.0000000049
|
|
5 0.0783751113 -0.1598309587
|
|
|
|
orbital 1 8 19 2.8843438557 1.0000000000
|
|
1 0.0000000000 -0.0000000001
|
|
2 0.0000000001 -0.0000000006
|
|
3 -0.0000000001 0.0000000004
|
|
4 -0.0000000001 0.0000000006
|
|
5 -0.0130702933 0.0624790725
|
|
|
|
orbital 1 8 20 5.8996114794 0.2052695030
|
|
1 0.0000000000 -0.0000000000
|
|
2 -0.3158791692 -0.4495410429
|
|
3 0.0000000000 -0.0000000000
|
|
4 0.3158791266 0.4495409823
|
|
5 -0.0000000002 -0.0000000003
|
|
|
|
orbital 1 8 21 5.9904356382 0.0000000000
|
|
1 0.0000000055 0.0000000014
|
|
2 0.5320681276 0.1344181355
|
|
3 0.0000000024 0.0000000006
|
|
4 0.5320681999 0.1344181538
|
|
5 -0.0000000000 0.0000000000
|
|
|
|
orbital 1 8 22 6.2730975934 0.0000000000
|
|
1 0.2978921401 -0.5120515167
|
|
2 -0.0000000026 0.0000000045
|
|
3 0.0206588798 -0.0355108757
|
|
4 -0.0000000026 0.0000000045
|
|
5 0.0000000001 -0.0000000001
|
|
|
|
orbital 1 8 23 7.5215236327 0.0000000000
|
|
1 -0.0085096922 0.0010530097
|
|
2 -0.0000000018 0.0000000002
|
|
3 0.7231775784 -0.0894877274
|
|
4 -0.0000000018 0.0000000002
|
|
5 0.0000000060 -0.0000000007
|
|
|
|
orbital 1 8 24 9.8885516020 0.0000000000
|
|
1 0.0000000000 0.0000000000
|
|
2 -0.0000000002 -0.0000000007
|
|
3 -0.0000000022 -0.0000000089
|
|
4 0.0000000002 0.0000000007
|
|
5 0.1522793869 0.6243326440
|
|
|
|
orbital 1 8 25 11.1923222885 0.0000000000
|
|
1 0.1238514700 0.0466565855
|
|
2 -0.0000000001 -0.0000000000
|
|
3 -0.0741404697 -0.0279297546
|
|
4 -0.0000000001 -0.0000000000
|
|
5 -0.0000000003 -0.0000000001
|
|
|
|
orbital 1 8 26 12.0567037927 0.0000000000
|
|
1 -0.0233056818 -0.1032574439
|
|
2 0.0000000000 -0.0000000000
|
|
3 -0.0131830509 -0.0584084237
|
|
4 -0.0000000000 0.0000000000
|
|
5 -0.0000000001 -0.0000000003
|
|
|
|
orbital 1 8 27 12.1325741484 0.0000000000
|
|
1 0.0000000000 -0.0000000000
|
|
2 0.0000000000 0.0000000000
|
|
3 -0.0000000000 -0.0000000000
|
|
4 -0.0000000000 -0.0000000000
|
|
5 -0.0659341193 -0.0755130312
|
|
|
|
orbital 1 8 28 12.8042930776 0.0000000000
|
|
1 -0.0000000000 -0.0000000000
|
|
2 0.0100265337 0.0250234690
|
|
3 -0.0000000000 -0.0000000000
|
|
4 -0.0100265337 -0.0250234690
|
|
5 0.0000000000 0.0000000001
|
|
|
|
orbital 1 8 29 12.9354083768 0.0000000000
|
|
1 0.0000000000 0.0000000000
|
|
2 -0.0083627686 -0.0043071155
|
|
3 0.0000000001 0.0000000001
|
|
4 -0.0083627689 -0.0043071157
|
|
5 0.0000000000 0.0000000001
|
|
|
|
orbital 1 8 30 14.0837602395 0.0000000000
|
|
1 0.0745547128 -0.1329012919
|
|
2 -0.0000000007 -0.0000000006
|
|
3 0.0112973231 -0.0201386185
|
|
4 -0.0000000003 0.0000000008
|
|
5 -0.0000000003 0.0000000025
|
|
|
|
orbital 1 8 31 17.8580242751 0.0000000000
|
|
1 0.0000003274 0.0000004824
|
|
2 0.0000001930 0.0000001864
|
|
3 0.0000001166 -0.0000000284
|
|
4 -0.0000001701 -0.0000001919
|
|
5 -0.0208193431 0.0825663705
|
|
|
|
orbital 1 8 32 17.9890096325 0.0000000000
|
|
1 -0.0687420702 -0.0113949314
|
|
2 0.0000010453 -0.0000007084
|
|
3 0.0497060265 0.0082402743
|
|
4 -0.0000008572 0.0000003582
|
|
5 -0.0000005930 -0.0000009579
|
|
|
|
orbital 1 9 1 -34.3571224002 1.0000000000
|
|
1 0.0283080563 -0.0140035906
|
|
2 0.0000000032 -0.0000000068
|
|
3 0.0091926574 -0.0045474734
|
|
4 -0.0000000051 0.0000000092
|
|
5 0.0000004870 -0.0000002406
|
|
|
|
orbital 1 9 2 -34.3566438040 1.0000000000
|
|
1 -0.0000000469 -0.0000003621
|
|
2 -0.0000000062 0.0000000058
|
|
3 -0.0000000161 -0.0000001170
|
|
4 -0.0000000000 0.0000000026
|
|
5 0.0063595950 0.0470833890
|
|
|
|
orbital 1 9 3 -34.3294816876 1.0000000000
|
|
1 -0.0000000043 -0.0000000009
|
|
2 -0.0055460871 0.0013067779
|
|
3 -0.0000000048 -0.0000000019
|
|
4 -0.0055461004 0.0013067752
|
|
5 0.0000000005 -0.0000000020
|
|
|
|
orbital 1 9 4 -29.1330551688 1.0000000000
|
|
1 0.3324327582 0.0717401710
|
|
2 0.0000000599 -0.0000000643
|
|
3 -0.0226483669 -0.0048875117
|
|
4 0.0000000755 -0.0000000009
|
|
5 0.0000000515 0.0000000293
|
|
|
|
orbital 1 9 5 -14.1262943506 1.0000000000
|
|
1 0.0624867237 -0.0202971648
|
|
2 -0.0000000038 0.0000000034
|
|
3 -0.3543157767 0.1150901365
|
|
4 -0.0000000045 -0.0000000004
|
|
5 -0.0000000072 -0.0000000013
|
|
|
|
orbital 1 9 6 -13.4204398322 1.0000000000
|
|
1 0.0000000037 0.0000000004
|
|
2 -0.0000000027 0.0000000018
|
|
3 0.0000000035 -0.0000000006
|
|
4 -0.0000000031 -0.0000000002
|
|
5 -0.3641527247 -0.1423080934
|
|
|
|
orbital 1 9 7 -13.1375435838 1.0000000000
|
|
1 -0.0527805534 0.0104833940
|
|
2 0.0000000043 -0.0000000034
|
|
3 -0.4332841244 0.0860598925
|
|
4 0.0000000054 0.0000000002
|
|
5 0.0000000057 0.0000000037
|
|
|
|
orbital 1 9 8 -11.0855568354 1.0000000000
|
|
1 -0.0000000040 0.0000000012
|
|
2 -0.0685747172 0.0385804342
|
|
3 0.0000000023 0.0000000038
|
|
4 -0.0685747159 0.0385804364
|
|
5 0.0000000038 0.0000000009
|
|
|
|
orbital 1 9 9 -10.8760294519 1.0000000000
|
|
1 0.0000000061 -0.0000000009
|
|
2 -0.0000000021 0.0000000021
|
|
3 -0.0000000021 -0.0000000046
|
|
4 -0.0000000024 0.0000000005
|
|
5 -0.0711110997 0.0176516725
|
|
|
|
orbital 1 9 10 -10.7875709957 1.0000000000
|
|
1 -0.1106342767 0.0015783522
|
|
2 0.0000000047 -0.0000000058
|
|
3 0.0048527959 -0.0000692206
|
|
4 0.0000000072 -0.0000000001
|
|
5 0.0000000110 0.0000000025
|
|
|
|
orbital 1 9 11 -1.2170848547 1.0000000000
|
|
1 0.3458663640 0.0559146811
|
|
2 -0.0000000062 0.0000000057
|
|
3 -0.2015008518 -0.0325757681
|
|
4 -0.0000000071 0.0000000021
|
|
5 0.0000000106 -0.0000000034
|
|
|
|
orbital 1 9 12 -0.7514101626 1.0000000000
|
|
1 0.5393400028 0.0870197917
|
|
2 -0.0000000061 0.0000000059
|
|
3 0.1519033846 0.0245088280
|
|
4 -0.0000000075 0.0000000029
|
|
5 -0.0000005543 -0.0000000962
|
|
|
|
orbital 1 9 13 -0.7348225339 1.0000000000
|
|
1 0.0000004776 0.0000001550
|
|
2 -0.0000000038 0.0000000018
|
|
3 0.0000001499 0.0000000403
|
|
4 -0.0000000038 0.0000000016
|
|
5 0.5495017450 0.1806220007
|
|
|
|
orbital 1 9 14 0.1984517153 1.0000000000
|
|
1 0.0000000036 -0.0000000019
|
|
2 0.3065400835 0.0956928543
|
|
3 -0.0000000006 -0.0000000016
|
|
4 0.3065400831 0.0956928543
|
|
5 -0.0000000038 -0.0000000014
|
|
|
|
orbital 1 9 15 0.6079843615 1.0000000000
|
|
1 0.0000000062 -0.0000000008
|
|
2 -0.4139706235 -0.0524762305
|
|
3 0.0000000006 -0.0000000045
|
|
4 0.4139706169 0.0524762332
|
|
5 -0.0000000073 -0.0000000019
|
|
|
|
orbital 1 9 16 1.5108721523 1.0000000000
|
|
1 -0.0028631876 -0.0013161544
|
|
2 -0.0000000015 -0.0000000078
|
|
3 -0.0673972480 -0.0309813758
|
|
4 0.0000000021 -0.0000000051
|
|
5 0.0000000039 0.0000000032
|
|
|
|
orbital 1 9 17 1.7093499156 1.0000000000
|
|
1 -0.0000000003 -0.0000000000
|
|
2 0.2596837584 0.0018515452
|
|
3 -0.0000000007 -0.0000000000
|
|
4 0.2596837581 0.0018515452
|
|
5 -0.0000000000 0.0000000000
|
|
|
|
orbital 1 9 18 1.8370285403 1.0000000000
|
|
1 -0.0000000001 -0.0000000001
|
|
2 -0.0000000001 -0.0000000000
|
|
3 -0.0000000009 -0.0000000006
|
|
4 0.0000000001 0.0000000001
|
|
5 -0.1528881560 -0.0911800701
|
|
|
|
orbital 1 9 19 2.8843438557 1.0000000000
|
|
1 0.0000000001 -0.0000000000
|
|
2 0.0000000007 -0.0000000001
|
|
3 0.0000000004 -0.0000000001
|
|
4 -0.0000000007 0.0000000001
|
|
5 0.0626122447 -0.0124166774
|
|
|
|
orbital 1 9 20 5.8996114795 0.2326407263
|
|
1 -0.0000000008 -0.0000000035
|
|
2 -0.1180539806 -0.5365911446
|
|
3 -0.0000000004 -0.0000000017
|
|
4 -0.1180539647 -0.5365910723
|
|
5 -0.0000000000 0.0000000000
|
|
|
|
orbital 1 9 21 5.9904356382 0.0257788908
|
|
1 -0.0000000000 -0.0000000000
|
|
2 0.1711224461 0.5214228956
|
|
3 0.0000000000 0.0000000000
|
|
4 -0.1711224693 -0.5214229664
|
|
5 0.0000000001 0.0000000003
|
|
|
|
orbital 1 9 22 6.2730975933 0.0035070795
|
|
1 -0.0433605768 0.5908099045
|
|
2 0.0000000002 -0.0000000032
|
|
3 0.0030070647 -0.0409727857
|
|
4 0.0000000002 -0.0000000032
|
|
5 0.0000000000 -0.0000000001
|
|
|
|
orbital 1 9 23 7.5215236327 0.0000000000
|
|
1 -0.0059399324 -0.0061839221
|
|
2 0.0000000012 0.0000000013
|
|
3 -0.5047921660 -0.5255270996
|
|
4 0.0000000012 0.0000000013
|
|
5 -0.0000000042 -0.0000000044
|
|
|
|
orbital 1 9 24 9.8885516020 0.0000000000
|
|
1 -0.0000000000 0.0000000001
|
|
2 -0.0000000001 0.0000000007
|
|
3 -0.0000000015 0.0000000091
|
|
4 0.0000000001 -0.0000000007
|
|
5 0.1032956768 -0.6342793274
|
|
|
|
orbital 1 9 25 11.1923222885 0.0000000000
|
|
1 0.1158928042 0.0639130778
|
|
2 -0.0000000000 0.0000000000
|
|
3 0.0693762209 0.0382599061
|
|
4 -0.0000000000 -0.0000000000
|
|
5 0.0000000003 0.0000000002
|
|
|
|
orbital 1 9 26 12.0567037927 0.0000000000
|
|
1 -0.0126827537 -0.1050923510
|
|
2 -0.0000000001 -0.0000000001
|
|
3 0.0071741043 0.0594463543
|
|
4 0.0000000001 0.0000000000
|
|
5 -0.0000000001 0.0000000003
|
|
|
|
orbital 1 9 27 12.1325741484 0.0000000000
|
|
1 -0.0000000000 -0.0000000000
|
|
2 0.0000000000 0.0000000000
|
|
3 -0.0000000000 0.0000000000
|
|
4 -0.0000000000 0.0000000000
|
|
5 -0.0922852409 -0.0391530369
|
|
|
|
orbital 1 9 28 12.8042930776 0.0000000000
|
|
1 -0.0000000004 0.0000000008
|
|
2 -0.0010656736 -0.0269364018
|
|
3 0.0000000000 0.0000000005
|
|
4 -0.0010656736 -0.0269364013
|
|
5 -0.0000000000 -0.0000000001
|
|
|
|
orbital 1 9 29 12.9354083767 0.0000000000
|
|
1 -0.0000000003 -0.0000000001
|
|
2 0.0062151158 -0.0070611245
|
|
3 -0.0000000001 -0.0000000001
|
|
4 -0.0062151157 0.0070611248
|
|
5 0.0000000001 0.0000000001
|
|
|
|
orbital 1 9 30 14.0837602396 0.0000000000
|
|
1 0.1254130214 -0.0865605082
|
|
2 0.0000000165 -0.0000000123
|
|
3 -0.0190039377 0.0131165935
|
|
4 0.0000000100 0.0000000111
|
|
5 0.0000000128 -0.0000000029
|
|
|
|
orbital 1 9 31 17.8580243225 0.0000000000
|
|
1 -0.0000027327 0.0000000425
|
|
2 0.0000033579 0.0000034702
|
|
3 -0.0000014136 0.0000003347
|
|
4 0.0000033206 0.0000037250
|
|
5 0.0593064270 -0.0611007213
|
|
|
|
orbital 1 9 32 17.9890103631 0.0000000000
|
|
1 -0.0653353072 -0.0241739940
|
|
2 -0.0000121087 -0.0000137885
|
|
3 -0.0472433770 -0.0174806339
|
|
4 -0.0000108843 -0.0000140031
|
|
5 -0.0000020523 -0.0000031014
|
|
|
|
orbital 1 10 1 -34.3587414284 1.0000000000
|
|
1 -0.0000000035 0.0000000017
|
|
2 -0.0000000044 -0.0000000039
|
|
3 -0.0239329922 -0.0020779014
|
|
4 0.0000000011 -0.0000000017
|
|
5 -0.0000000006 0.0000000019
|
|
|
|
orbital 1 10 2 -34.3306810819 1.0000000000
|
|
1 -0.0000000089 0.0000000007
|
|
2 0.0057393425 -0.0026430716
|
|
3 -0.0000000086 -0.0000000056
|
|
4 0.0000032151 0.0000030347
|
|
5 -0.0000000020 0.0000000084
|
|
|
|
orbital 1 10 3 -34.3306810707 1.0000000000
|
|
1 -0.0000000152 0.0000000011
|
|
2 0.0000027802 -0.0000034385
|
|
3 -0.0000000107 -0.0000000104
|
|
4 -0.0060423068 -0.0018483132
|
|
5 -0.0000000060 0.0000000091
|
|
|
|
orbital 1 10 4 -29.1520353262 1.0000000000
|
|
1 0.0000002082 -0.0000000012
|
|
2 0.0000000107 0.0000000264
|
|
3 0.0521127507 0.0222071207
|
|
4 -0.0000001591 -0.0000000433
|
|
5 0.0000001033 -0.0000001163
|
|
|
|
orbital 1 10 5 -14.4995872843 1.0000000000
|
|
1 -0.0000000435 0.0000000067
|
|
2 -0.0000000052 -0.0000000188
|
|
3 0.4935165916 0.0638750958
|
|
4 0.0000000475 0.0000000056
|
|
5 -0.0000000386 0.0000000535
|
|
|
|
orbital 1 10 6 -13.1640224506 1.0000000000
|
|
1 -0.0000000033 0.0000000005
|
|
2 0.0000000003 -0.0000000020
|
|
3 0.0000000092 0.0000000004
|
|
4 0.0000000059 0.0000000005
|
|
5 -0.5536121927 -0.1969891103
|
|
|
|
orbital 1 10 7 -13.1363852223 1.0000000000
|
|
1 -0.0000000316 -0.0000000053
|
|
2 -0.0000000012 -0.0000000157
|
|
3 -0.2964470179 -0.0543370873
|
|
4 0.0000000322 0.0000000038
|
|
5 -0.0000000647 0.0000000375
|
|
|
|
orbital 1 10 8 -11.1367476656 1.0000000000
|
|
1 -0.0000000059 -0.0000000005
|
|
2 0.0115606342 0.0205919649
|
|
3 -0.0000000081 -0.0000000074
|
|
4 -0.0596000668 -0.1419140728
|
|
5 -0.0000000045 0.0000000086
|
|
|
|
orbital 1 10 9 -11.1367476655 1.0000000000
|
|
1 -0.0000000102 -0.0000000011
|
|
2 -0.0721211614 -0.1359790877
|
|
3 -0.0000000135 -0.0000000135
|
|
4 -0.0086209878 -0.0219853548
|
|
5 -0.0000000083 0.0000000148
|
|
|
|
orbital 1 10 10 -10.6951020071 1.0000000000
|
|
1 0.0000000092 0.0000000016
|
|
2 -0.0000000001 0.0000000053
|
|
3 -0.0496455821 -0.0313587617
|
|
4 -0.0000000092 -0.0000000010
|
|
5 0.0000000078 -0.0000000148
|
|
|
|
orbital 1 10 11 -0.9415173575 1.0000000000
|
|
1 -0.0000000098 -0.0000000042
|
|
2 -0.0000000009 -0.0000000069
|
|
3 0.2326127440 0.2622895294
|
|
4 0.0000000111 0.0000000010
|
|
5 -0.0000000085 0.0000000227
|
|
|
|
orbital 1 10 12 0.1656678026 1.0000000000
|
|
1 0.0000000147 0.0000000048
|
|
2 -0.0000780059 -0.0000168834
|
|
3 0.0000000185 0.0000000198
|
|
4 -0.1290122377 -0.1015834502
|
|
5 0.0000000119 -0.0000000293
|
|
|
|
orbital 1 10 13 0.1656678218 1.0000000000
|
|
1 -0.0000000036 -0.0000000016
|
|
2 -0.1609910798 -0.0323299175
|
|
3 -0.0000000055 -0.0000000050
|
|
4 0.0000634536 0.0000484240
|
|
5 -0.0000000031 0.0000000095
|
|
|
|
orbital 1 10 14 1.0970857975 1.0000000000
|
|
1 -0.0000000110 -0.0000000067
|
|
2 0.0272977496 -0.0090797751
|
|
3 -0.0000000154 -0.0000000179
|
|
4 0.4204461098 0.3661476141
|
|
5 -0.0000000115 0.0000000272
|
|
|
|
orbital 1 10 15 1.0970857978 1.0000000000
|
|
1 -0.0000000051 -0.0000000040
|
|
2 -0.5070406078 0.2318379136
|
|
3 -0.0000000104 -0.0000000100
|
|
4 0.0236007244 0.0164503899
|
|
5 -0.0000000058 0.0000000161
|
|
|
|
orbital 1 10 16 1.1931441101 1.0000000000
|
|
1 0.0000000469 0.0000000320
|
|
2 0.0000000104 0.0000000416
|
|
3 0.1471994670 0.0315154146
|
|
4 -0.0000000697 -0.0000000007
|
|
5 0.0000000468 -0.0000001378
|
|
|
|
orbital 1 10 17 1.4730702043 1.0000000000
|
|
1 -0.0000000000 -0.0000000000
|
|
2 0.0000000005 -0.0000000005
|
|
3 -0.0000000000 0.0000000000
|
|
4 -0.0000000005 0.0000000005
|
|
5 -0.0212426389 0.0201873797
|
|
|
|
orbital 1 10 18 2.6212436956 1.0000000000
|
|
1 -0.0000000001 -0.0000000001
|
|
2 -0.0000273135 -0.0000269771
|
|
3 -0.0000000001 -0.0000000000
|
|
4 -0.0790157242 -0.0772887235
|
|
5 0.0000000001 0.0000000001
|
|
|
|
orbital 1 10 19 2.6212437031 1.0000000000
|
|
1 0.0000000001 0.0000000000
|
|
2 0.1099228893 0.0115754006
|
|
3 0.0000000001 0.0000000000
|
|
4 -0.0000381979 -0.0000038351
|
|
5 0.0000000001 0.0000000000
|
|
|
|
orbital 1 10 20 4.5028169370 1.1226876580
|
|
1 -0.5568066570 -0.7982006094
|
|
2 -0.0000000004 -0.0000000005
|
|
3 -0.0000000000 -0.0000000000
|
|
4 -0.0000000004 -0.0000000005
|
|
5 -0.0000000000 -0.0000000000
|
|
|
|
orbital 1 10 21 5.9520647349 0.0443815147
|
|
1 0.0000000006 -0.0000000007
|
|
2 -0.4743778470 0.5934321458
|
|
3 -0.0000000003 0.0000000004
|
|
4 -0.0001687333 0.0002112057
|
|
5 -0.0000000027 0.0000000033
|
|
|
|
orbital 1 10 22 5.9520647467 0.0438953764
|
|
1 0.0000000000 -0.0000000009
|
|
2 0.0000125078 -0.0002700413
|
|
3 -0.0000000000 0.0000000005
|
|
4 -0.0349317579 0.7589307124
|
|
5 0.0000000002 -0.0000000043
|
|
|
|
orbital 1 10 23 6.6618951142 0.0000000000
|
|
1 -0.0000000000 -0.0000000000
|
|
2 -0.0000000044 0.0000000004
|
|
3 0.0000000061 -0.0000000005
|
|
4 0.0000000044 -0.0000000004
|
|
5 0.7624810136 -0.0669178453
|
|
|
|
orbital 1 10 24 8.5354960829 0.0000000000
|
|
1 0.0000000000 0.0000000000
|
|
2 -0.0000000004 0.0000000009
|
|
3 0.2509182113 -0.5995505258
|
|
4 -0.0000000004 0.0000000009
|
|
5 -0.0000000028 0.0000000067
|
|
|
|
orbital 1 10 25 10.4342918742 0.0000000000
|
|
1 0.0000000000 0.0000000000
|
|
2 -0.0000000000 -0.0000000000
|
|
3 -0.0000000001 -0.0000000002
|
|
4 0.0000000000 0.0000000000
|
|
5 0.0414240208 0.0952643447
|
|
|
|
orbital 1 10 26 10.5105018391 0.0000000000
|
|
1 -0.0000000001 -0.0000000000
|
|
2 0.0000000001 -0.0000000000
|
|
3 0.1117152695 -0.0815657389
|
|
4 -0.0000000001 0.0000000000
|
|
5 0.0000000000 0.0000000001
|
|
|
|
orbital 1 10 27 11.7588700786 0.0000000000
|
|
1 0.0136058029 -0.0543716575
|
|
2 0.0000000000 0.0000000000
|
|
3 0.0000000000 -0.0000000000
|
|
4 -0.0000000000 0.0000000000
|
|
5 0.0000000000 -0.0000000000
|
|
|
|
orbital 1 10 28 12.4330308885 0.0000000000
|
|
1 -0.0000000004 -0.0000000012
|
|
2 0.0000000006 0.0000000014
|
|
3 -0.1138322567 -0.0885144914
|
|
4 0.0000000000 -0.0000000011
|
|
5 -0.0000000036 0.0000000070
|
|
|
|
orbital 1 10 29 12.8698676639 0.0000000000
|
|
1 -0.0000000000 -0.0000000000
|
|
2 -0.0090506436 0.0489037428
|
|
3 0.0000000000 -0.0000000002
|
|
4 0.0000411066 -0.0001560247
|
|
5 -0.0000000000 -0.0000000000
|
|
|
|
orbital 1 10 30 12.8698676641 0.0000000000
|
|
1 0.0000000000 -0.0000000001
|
|
2 -0.0000514808 0.0001529157
|
|
3 0.0000000001 -0.0000000001
|
|
4 -0.0193376823 0.0458207845
|
|
5 -0.0000000002 0.0000000002
|
|
|
|
orbital 1 10 31 17.9005215289 0.0000000000
|
|
1 -0.0000001464 0.0000002754
|
|
2 -0.0000001484 -0.0000002400
|
|
3 -0.0917377610 -0.0490511213
|
|
4 0.0000002997 0.0000000634
|
|
5 -0.0000002583 -0.0000000952
|
|
|
|
orbital 1 10 32 19.2345482267 0.0000000000
|
|
1 0.0000008636 0.0000017906
|
|
2 -0.0000014350 -0.0000031273
|
|
3 -0.0419919904 -0.0160035453
|
|
4 0.0000039773 0.0000006522
|
|
5 -0.0000012084 0.0000002193
|
|
|
|
orbital 1 11 1 -34.3571223848 1.0000000000
|
|
1 -0.0000000121 -0.0000000068
|
|
2 0.0000000156 0.0000000021
|
|
3 -0.0051817318 0.0016827365
|
|
4 0.0300381772 -0.0097547148
|
|
5 -0.0086137893 0.0027972804
|
|
|
|
orbital 1 11 2 -34.3566437890 1.0000000000
|
|
1 0.0000000253 0.0000000148
|
|
2 0.0000000045 -0.0000000102
|
|
3 0.0336884067 -0.0220275943
|
|
4 -0.0000005164 0.0000003565
|
|
5 -0.0186632618 0.0122031948
|
|
|
|
orbital 1 11 3 -34.3294817179 1.0000000000
|
|
1 0.0054445872 0.0016803113
|
|
2 0.0054445714 0.0016802994
|
|
3 0.0000000007 0.0000000012
|
|
4 0.0000000015 0.0000000058
|
|
5 -0.0000000009 -0.0000000063
|
|
|
|
orbital 1 11 4 -29.1330551686 1.0000000000
|
|
1 -0.0000002093 -0.0000000444
|
|
2 -0.0000001097 0.0000000351
|
|
3 -0.0114522537 -0.0045146151
|
|
4 -0.3163890797 -0.1247243760
|
|
5 -0.0190337134 -0.0075033538
|
|
|
|
orbital 1 11 5 -14.1262943572 1.0000000000
|
|
1 -0.0000000036 -0.0000000158
|
|
2 0.0000000214 0.0000000062
|
|
3 -0.1622011031 -0.1134299783
|
|
4 -0.0538412906 -0.0376521345
|
|
5 -0.2695792838 -0.1885213546
|
|
|
|
orbital 1 11 6 -13.4204398415 1.0000000000
|
|
1 -0.0000000367 -0.0000000352
|
|
2 0.0000000080 0.0000000021
|
|
3 0.3290543485 0.0378671991
|
|
4 -0.0000000372 -0.0000000148
|
|
5 -0.1822968025 -0.0209785058
|
|
|
|
orbital 1 11 7 -13.1375435546 1.0000000000
|
|
1 0.0000000609 0.0000000367
|
|
2 -0.0000000127 -0.0000000095
|
|
3 0.2254174602 -0.0653481293
|
|
4 -0.0516835877 0.0149830085
|
|
5 0.3746452953 -0.1086090352
|
|
|
|
orbital 1 11 8 -11.0855568357 1.0000000000
|
|
1 -0.0544134077 -0.0568341471
|
|
2 -0.0544134303 -0.0568341563
|
|
3 0.0000000026 0.0000000007
|
|
4 0.0000000090 -0.0000000006
|
|
5 -0.0000000076 0.0000000005
|
|
|
|
orbital 1 11 9 -10.8760294548 1.0000000000
|
|
1 0.0000000158 0.0000000283
|
|
2 -0.0000000106 -0.0000000047
|
|
3 -0.0587613938 -0.0200028752
|
|
4 0.0000000179 0.0000000160
|
|
5 0.0325539242 0.0110816242
|
|
|
|
orbital 1 11 10 -10.7875709955 1.0000000000
|
|
1 -0.0000000093 -0.0000000209
|
|
2 0.0000000079 0.0000000045
|
|
3 0.0024539488 -0.0007917897
|
|
4 0.1052998809 -0.0339759597
|
|
5 0.0040784946 -0.0013159489
|
|
|
|
orbital 1 11 11 -1.2170847847 1.0000000000
|
|
1 -0.0000000111 -0.0000000993
|
|
2 0.0000000241 0.0000000056
|
|
3 -0.0737535228 0.0795048043
|
|
4 -0.2382752288 0.2568558240
|
|
5 -0.1225789018 0.1321376852
|
|
|
|
orbital 1 11 12 -0.7514101230 1.0000000000
|
|
1 -0.0000000213 0.0000000559
|
|
2 -0.0000000153 0.0000000047
|
|
3 -0.0473170845 0.0666620982
|
|
4 0.3162159495 -0.4454969226
|
|
5 -0.0786428637 0.1107949847
|
|
|
|
orbital 1 11 13 -0.7348225188 1.0000000000
|
|
1 0.0000000420 0.0000000190
|
|
2 -0.0000000033 -0.0000000008
|
|
3 0.4652240018 -0.1539511707
|
|
4 -0.0000012037 0.0000004082
|
|
5 -0.2577347143 0.0852891453
|
|
|
|
orbital 1 11 14 0.1984516964 1.0000000000
|
|
1 0.0519710570 0.3168957217
|
|
2 0.0519710852 0.3168958197
|
|
3 0.0000000012 -0.0000000049
|
|
4 -0.0000000230 -0.0000000476
|
|
5 0.0000000243 0.0000000418
|
|
|
|
orbital 1 11 15 0.6079843709 1.0000000000
|
|
1 -0.2591530960 0.3270552019
|
|
2 0.2591530943 -0.3270551904
|
|
3 -0.0000000020 0.0000000061
|
|
4 0.0000000027 0.0000000101
|
|
5 0.0000000039 -0.0000000067
|
|
|
|
orbital 1 11 16 1.5108721508 1.0000000000
|
|
1 0.0000000742 -0.0000000160
|
|
2 0.0000000029 0.0000000359
|
|
3 0.0031413340 0.0392844980
|
|
4 -0.0002511485 -0.0031412153
|
|
5 0.0052208758 0.0652911590
|
|
|
|
orbital 1 11 17 1.7093498880 1.0000000000
|
|
1 0.2557370805 0.0451400418
|
|
2 0.2557370944 0.0451400442
|
|
3 0.0000000012 0.0000000002
|
|
4 -0.0000000001 -0.0000000000
|
|
5 -0.0000000009 -0.0000000002
|
|
|
|
orbital 1 11 18 1.8370285443 1.0000000000
|
|
1 0.0000000015 -0.0000000014
|
|
2 0.0000000014 -0.0000000013
|
|
3 -0.1093274406 0.1038808327
|
|
4 0.0000000004 -0.0000000003
|
|
5 0.0605676468 -0.0575502139
|
|
|
|
orbital 1 11 19 2.8843438508 1.0000000000
|
|
1 0.0000000006 0.0000000003
|
|
2 0.0000000001 0.0000000000
|
|
3 0.0461731840 0.0281493622
|
|
4 0.0000000006 0.0000000003
|
|
5 -0.0255800479 -0.0155948100
|
|
|
|
orbital 1 11 20 5.8996117509 0.2052693453
|
|
1 -0.1602433557 0.5255349472
|
|
2 -0.1602443381 0.5255381689
|
|
3 -0.0000000002 0.0000000008
|
|
4 -0.0000000006 0.0000000021
|
|
5 -0.0000000004 0.0000000013
|
|
|
|
orbital 1 11 21 5.9904359175 0.0000000000
|
|
1 0.4854149230 -0.2560058389
|
|
2 -0.4854119202 0.2560042552
|
|
3 -0.0000000006 0.0000000003
|
|
4 0.0000000021 -0.0000000011
|
|
5 -0.0000000011 0.0000000006
|
|
|
|
orbital 1 11 22 6.2730969928 0.0000000000
|
|
1 0.0000000041 -0.0000000004
|
|
2 -0.0000000001 0.0000000000
|
|
3 -0.0217198147 0.0021622541
|
|
4 -0.5894850315 0.0586844969
|
|
5 -0.0360984787 0.0035936808
|
|
|
|
orbital 1 11 23 7.5215231177 0.0000000000
|
|
1 0.0000000001 -0.0000000000
|
|
2 -0.0000000025 0.0000000004
|
|
3 0.3833921867 -0.0538173788
|
|
4 -0.0084913425 0.0011919434
|
|
5 0.6372004733 -0.0894448568
|
|
|
|
orbital 1 11 24 9.8885520059 0.0000000000
|
|
1 -0.0000000000 -0.0000000000
|
|
2 -0.0000000002 -0.0000000001
|
|
3 0.4923568348 0.2323604061
|
|
4 -0.0000000001 -0.0000000000
|
|
5 -0.2727666973 -0.1287281421
|
|
|
|
orbital 1 11 25 11.1923222703 0.0000000000
|
|
1 0.0000000000 -0.0000000001
|
|
2 0.0000000000 0.0000000000
|
|
3 0.0014498152 -0.0420678019
|
|
4 -0.0045585084 0.1322695695
|
|
5 0.0024096027 -0.0699169724
|
|
|
|
orbital 1 11 26 12.0567037886 0.0000000000
|
|
1 -0.0000000003 -0.0000000002
|
|
2 0.0000000001 0.0000000001
|
|
3 0.0216192164 -0.0233379059
|
|
4 0.0719366450 -0.0776554829
|
|
5 0.0359312868 -0.0387877615
|
|
|
|
orbital 1 11 27 12.1325741500 0.0000000000
|
|
1 0.0000000000 -0.0000000000
|
|
2 0.0000000000 0.0000000000
|
|
3 0.0574767369 0.0625238182
|
|
4 -0.0000000009 -0.0000000009
|
|
5 -0.0318422401 -0.0346383344
|
|
|
|
orbital 1 11 28 12.8042930802 0.0000000000
|
|
1 -0.0202246500 -0.0178232671
|
|
2 -0.0202246508 -0.0178232676
|
|
3 -0.0000000004 0.0000000001
|
|
4 0.0000000002 0.0000000000
|
|
5 -0.0000000002 0.0000000002
|
|
|
|
orbital 1 11 29 12.9354083875 0.0000000000
|
|
1 0.0093257647 -0.0012318848
|
|
2 -0.0093257497 0.0012318828
|
|
3 0.0000000001 0.0000000001
|
|
4 0.0000000000 -0.0000000000
|
|
5 0.0000000003 0.0000000002
|
|
|
|
orbital 1 11 30 14.0837602384 0.0000000000
|
|
1 0.0000000031 -0.0000000232
|
|
2 -0.0000000024 -0.0000000230
|
|
3 0.0107823238 -0.0058522184
|
|
4 0.1339292405 -0.0726919319
|
|
5 0.0179203001 -0.0097264617
|
|
|
|
orbital 1 11 31 17.8580243138 0.0000000000
|
|
1 0.0000005397 -0.0000039751
|
|
2 0.0000004568 -0.0000044687
|
|
3 0.0317870941 -0.0647576272
|
|
4 0.0000003337 0.0000002075
|
|
5 -0.0176094298 0.0358759582
|
|
|
|
orbital 1 11 32 17.9890103682 0.0000000000
|
|
1 -0.0000066836 -0.0000170254
|
|
2 -0.0000079649 -0.0000191067
|
|
3 -0.0127613922 0.0235293689
|
|
4 0.0332286536 -0.0612399927
|
|
5 -0.0212087101 0.0391005606
|
|
|
|
orbital 1 12 1 -34.3571223852 1.0000000000
|
|
1 0.0000000037 -0.0000000020
|
|
2 0.0000000040 -0.0000000054
|
|
3 0.0006534298 0.0054087922
|
|
4 0.0037879046 0.0313544068
|
|
5 0.0010862218 0.0089912409
|
|
|
|
orbital 1 12 2 -34.3566437886 1.0000000000
|
|
1 0.0000000094 -0.0000000023
|
|
2 -0.0000000083 -0.0000000146
|
|
3 0.0216206918 0.0339509892
|
|
4 0.0000003513 0.0000005470
|
|
5 -0.0119777878 -0.0188087162
|
|
|
|
orbital 1 12 3 -34.3294817179 1.0000000000
|
|
1 -0.0056886018 0.0003265355
|
|
2 0.0056886071 -0.0003265209
|
|
3 -0.0000000030 0.0000000001
|
|
4 -0.0000000047 -0.0000000008
|
|
5 0.0000000057 -0.0000000029
|
|
|
|
orbital 1 12 4 -29.1330551656 1.0000000000
|
|
1 0.0000002166 0.0000002341
|
|
2 -0.0000001790 -0.0000002168
|
|
3 -0.0002326208 -0.0123078879
|
|
4 0.0064241281 0.3400250272
|
|
5 -0.0003865082 -0.0204556938
|
|
|
|
orbital 1 12 5 -14.1262943572 1.0000000000
|
|
1 0.0000000214 -0.0000000008
|
|
2 -0.0000000245 -0.0000000266
|
|
3 -0.0731770659 0.1839039841
|
|
4 0.0242905230 -0.0610453508
|
|
5 -0.1216207693 0.3056496226
|
|
|
|
orbital 1 12 6 -13.4204398416 1.0000000000
|
|
1 0.0000000169 -0.0000000001
|
|
2 -0.0000000017 -0.0000000136
|
|
3 0.3300830502 -0.0274929313
|
|
4 0.0000000048 0.0000000064
|
|
5 -0.1828667510 0.0152311458
|
|
|
|
orbital 1 12 7 -13.1375435546 1.0000000000
|
|
1 0.0000000408 -0.0000000060
|
|
2 -0.0000000107 -0.0000000236
|
|
3 -0.2346792573 -0.0030109151
|
|
4 -0.0538071600 -0.0006903229
|
|
5 -0.3900384907 -0.0050041893
|
|
|
|
orbital 1 12 8 -11.0855568356 1.0000000000
|
|
1 0.0532665585 -0.0579104268
|
|
2 -0.0532665567 0.0579104054
|
|
3 -0.0000000015 0.0000000104
|
|
4 0.0000000079 0.0000000097
|
|
5 -0.0000000052 0.0000000044
|
|
|
|
orbital 1 12 9 -10.8760294549 1.0000000000
|
|
1 -0.0000000243 0.0000000053
|
|
2 0.0000000117 0.0000000193
|
|
3 -0.0606475517 -0.0132245910
|
|
4 -0.0000000032 -0.0000000111
|
|
5 0.0335988999 0.0073264470
|
|
|
|
orbital 1 12 10 -10.7875709955 1.0000000000
|
|
1 0.0000000223 -0.0000000109
|
|
2 -0.0000000191 -0.0000000220
|
|
3 -0.0020970858 0.0015003546
|
|
4 0.0899868269 -0.0643801502
|
|
5 -0.0034853823 0.0024935797
|
|
|
|
orbital 1 12 11 -1.2170847853 1.0000000000
|
|
1 0.0000000280 -0.0000000292
|
|
2 -0.0000000488 -0.0000000046
|
|
3 0.0925209905 0.0565726625
|
|
4 -0.2989071452 -0.1827690066
|
|
5 0.1537706070 0.0940241919
|
|
|
|
orbital 1 12 12 -0.7514101223 1.0000000000
|
|
1 -0.0000000329 0.0000000333
|
|
2 0.0000000440 -0.0000000068
|
|
3 0.0799001967 0.0172827430
|
|
4 0.5339662554 0.1154992110
|
|
5 0.1327973369 0.0287246354
|
|
|
|
orbital 1 12 13 -0.7348225189 1.0000000000
|
|
1 -0.0000000013 0.0000000046
|
|
2 0.0000000039 0.0000000104
|
|
3 0.3209065230 -0.3703421847
|
|
4 0.0000008619 -0.0000010019
|
|
5 -0.1777826261 0.2051700394
|
|
|
|
orbital 1 12 14 0.1984516966 1.0000000000
|
|
1 0.2312242262 -0.2228437137
|
|
2 -0.2312242505 0.2228436661
|
|
3 0.0000000080 0.0000000303
|
|
4 0.0000000274 0.0000000124
|
|
5 -0.0000000161 0.0000000176
|
|
|
|
orbital 1 12 15 0.6079843705 1.0000000000
|
|
1 -0.2777217207 0.3114418488
|
|
2 -0.2777217937 0.3114418812
|
|
3 0.0000000039 0.0000000250
|
|
4 0.0000000233 0.0000000125
|
|
5 -0.0000000198 0.0000000128
|
|
|
|
orbital 1 12 16 1.5108721547 1.0000000000
|
|
1 0.0000000461 -0.0000000026
|
|
2 -0.0000000382 -0.0000000659
|
|
3 0.0115471639 -0.0376802428
|
|
4 0.0009233210 -0.0030128608
|
|
5 0.0191914609 -0.0626248499
|
|
|
|
orbital 1 12 17 1.7093498882 1.0000000000
|
|
1 -0.2237534325 0.1318084942
|
|
2 0.2237534447 -0.1318085013
|
|
3 0.0000000010 -0.0000000006
|
|
4 0.0000000001 -0.0000000000
|
|
5 -0.0000000008 0.0000000005
|
|
|
|
orbital 1 12 18 1.8370285399 1.0000000000
|
|
1 -0.0000000020 -0.0000000002
|
|
2 0.0000000019 0.0000000002
|
|
3 -0.1496964564 -0.0182944698
|
|
4 -0.0000000007 -0.0000000001
|
|
5 0.0829321720 0.0101351772
|
|
|
|
orbital 1 12 19 2.8843438507 1.0000000000
|
|
1 -0.0000000005 0.0000000003
|
|
2 0.0000000001 -0.0000000000
|
|
3 0.0458758400 -0.0286313950
|
|
4 -0.0000000005 0.0000000003
|
|
5 -0.0254153191 0.0158618576
|
|
|
|
orbital 1 12 20 5.8996117536 0.2326406181
|
|
1 0.3616952131 0.4135716222
|
|
2 -0.3616974304 -0.4135741575
|
|
3 -0.0000000005 -0.0000000006
|
|
4 0.0000000014 0.0000000016
|
|
5 -0.0000000009 -0.0000000011
|
|
|
|
orbital 1 12 21 5.9904359148 0.0257788638
|
|
1 -0.2168590097 0.5041218175
|
|
2 -0.2168576682 0.5041186989
|
|
3 -0.0000000003 0.0000000007
|
|
4 -0.0000000009 0.0000000021
|
|
5 -0.0000000005 0.0000000011
|
|
|
|
orbital 1 12 22 6.2730969925 0.0035071186
|
|
1 -0.0000000017 -0.0000000038
|
|
2 -0.0000000000 -0.0000000001
|
|
3 -0.0090234904 -0.0198746655
|
|
4 0.2449013721 0.5394068877
|
|
5 -0.0149971025 -0.0330318296
|
|
|
|
orbital 1 12 23 7.5215231179 0.0000000000
|
|
1 0.0000000000 0.0000000001
|
|
2 0.0000000013 0.0000000022
|
|
3 -0.1938872206 -0.3351024094
|
|
4 -0.0042942010 -0.0074218255
|
|
5 -0.3222419053 -0.5569425284
|
|
|
|
orbital 1 12 24 9.8885520058 0.0000000000
|
|
1 -0.0000000000 0.0000000000
|
|
2 0.0000000001 -0.0000000001
|
|
3 -0.3086308110 0.4485015425
|
|
4 0.0000000009 -0.0000000014
|
|
5 0.1709821029 -0.2484707754
|
|
|
|
orbital 1 12 25 11.1923222703 0.0000000000
|
|
1 0.0000000000 -0.0000000000
|
|
2 0.0000000000 -0.0000000000
|
|
3 -0.0239245202 0.0346326326
|
|
4 -0.0752234692 0.1088919128
|
|
5 -0.0397627153 0.0575596709
|
|
|
|
orbital 1 12 26 12.0567037887 0.0000000000
|
|
1 -0.0000000003 0.0000000001
|
|
2 0.0000000007 -0.0000000001
|
|
3 0.0317787284 0.0014699533
|
|
4 -0.1057418144 -0.0048911800
|
|
5 0.0528164664 0.0024430715
|
|
|
|
orbital 1 12 27 12.1325741497 0.0000000000
|
|
1 0.0000000000 -0.0000000000
|
|
2 -0.0000000001 0.0000000000
|
|
3 -0.0754005088 0.0390840936
|
|
4 -0.0000000014 0.0000000007
|
|
5 0.0417720498 -0.0216526749
|
|
|
|
orbital 1 12 28 12.8042930802 0.0000000000
|
|
1 0.0236750310 0.0128917890
|
|
2 -0.0236750315 -0.0128917893
|
|
3 -0.0000000003 0.0000000002
|
|
4 0.0000000001 -0.0000000001
|
|
5 -0.0000000001 -0.0000000001
|
|
|
|
orbital 1 12 29 12.9354083874 0.0000000000
|
|
1 -0.0094029994 -0.0002665048
|
|
2 -0.0094029844 -0.0002665045
|
|
3 0.0000000003 0.0000000000
|
|
4 0.0000000001 0.0000000000
|
|
5 0.0000000001 0.0000000001
|
|
|
|
orbital 1 12 30 14.0837602398 0.0000000000
|
|
1 -0.0000000151 0.0000000099
|
|
2 0.0000000257 -0.0000000048
|
|
3 0.0119704962 0.0026858030
|
|
4 -0.1486883193 -0.0333607573
|
|
5 0.0198950890 0.0044638062
|
|
|
|
orbital 1 12 31 17.8580243063 0.0000000000
|
|
1 -0.0000036701 -0.0000011044
|
|
2 0.0000038180 0.0000014776
|
|
3 0.0720432363 -0.0036935458
|
|
4 -0.0000006147 -0.0000000158
|
|
5 -0.0399137629 0.0020467788
|
|
|
|
orbital 1 12 32 17.9890100166 0.0000000000
|
|
1 -0.0000087618 0.0000109362
|
|
2 0.0000104428 -0.0000093828
|
|
3 -0.0267228944 -0.0015804084
|
|
4 -0.0695537696 -0.0041273490
|
|
5 -0.0444078693 -0.0026329214
|
|
|
|
orbital 1 13 1 -34.3571223903 1.0000000000
|
|
1 -0.0000000061 -0.0000000015
|
|
2 0.0031314728 -0.0314267533
|
|
3 -0.0005401473 0.0054208092
|
|
4 -0.0000000007 -0.0000000182
|
|
5 0.0008980026 -0.0090122448
|
|
|
|
orbital 1 13 2 -34.3566437945 1.0000000000
|
|
1 -0.0000000016 -0.0000000044
|
|
2 0.0000005519 0.0000008418
|
|
3 -0.0223846393 -0.0334522995
|
|
4 0.0000000055 0.0000000101
|
|
5 -0.0124009319 -0.0185323392
|
|
|
|
orbital 1 13 3 -34.3294817068 1.0000000000
|
|
1 -0.0051152458 0.0025102078
|
|
2 0.0000000037 0.0000000035
|
|
3 0.0000000048 0.0000000010
|
|
4 -0.0051152290 0.0025102038
|
|
5 0.0000000065 0.0000000067
|
|
|
|
orbital 1 13 4 -29.1330551690 1.0000000000
|
|
1 0.0000000959 0.0000001295
|
|
2 0.3329409128 -0.0693437896
|
|
3 0.0120513600 -0.0025099809
|
|
4 -0.0000000523 0.0000001138
|
|
5 -0.0200294602 0.0041716546
|
|
|
|
orbital 1 13 5 -14.1262943675 1.0000000000
|
|
1 -0.0000000104 -0.0000000010
|
|
2 -0.0273064484 0.0597572143
|
|
3 -0.0822628391 0.1800232942
|
|
4 0.0000000232 0.0000000120
|
|
5 0.1367213578 -0.2991999277
|
|
|
|
orbital 1 13 6 -13.4204398376 1.0000000000
|
|
1 0.0000000151 -0.0000000091
|
|
2 -0.0000000100 -0.0000000038
|
|
3 0.1824115480 -0.2764719061
|
|
4 -0.0000000043 0.0000000162
|
|
5 0.1010564223 -0.1531660167
|
|
|
|
orbital 1 13 7 -13.1375435620 1.0000000000
|
|
1 -0.0000000141 -0.0000000151
|
|
2 0.0448687475 -0.0297066116
|
|
3 -0.1956944615 0.1295649813
|
|
4 -0.0000000059 -0.0000000004
|
|
5 0.3252455215 -0.2153378857
|
|
|
|
orbital 1 13 8 -11.0855568357 1.0000000000
|
|
1 0.0266966014 0.0740150887
|
|
2 -0.0000000037 -0.0000000058
|
|
3 -0.0000000014 -0.0000000018
|
|
4 0.0266965925 0.0740150928
|
|
5 0.0000000094 0.0000000118
|
|
|
|
orbital 1 13 9 -10.8760294540 1.0000000000
|
|
1 -0.0000000142 0.0000000049
|
|
2 0.0000000035 0.0000000079
|
|
3 -0.0146330761 0.0603232084
|
|
4 0.0000000006 -0.0000000059
|
|
5 -0.0081067718 0.0334191746
|
|
|
|
orbital 1 13 10 -10.7875709957 1.0000000000
|
|
1 0.0000000122 -0.0000000031
|
|
2 0.0498568408 -0.0987761604
|
|
3 0.0011618772 -0.0023019202
|
|
4 -0.0000000139 -0.0000000017
|
|
5 -0.0019310327 0.0038258316
|
|
|
|
orbital 1 13 11 -1.2170847562 1.0000000000
|
|
1 -0.0000000245 0.0000000137
|
|
2 -0.1175875473 0.3300351534
|
|
3 -0.0363969832 0.1021560837
|
|
4 0.0000000263 0.0000000093
|
|
5 0.0604920177 -0.1697842139
|
|
|
|
orbital 1 13 12 -0.7514101104 1.0000000000
|
|
1 0.0000000163 -0.0000000034
|
|
2 0.0447711612 -0.5444773510
|
|
3 -0.0066993848 0.0814734906
|
|
4 -0.0000000277 -0.0000000087
|
|
5 0.0111345758 -0.1354111260
|
|
|
|
orbital 1 13 13 -0.7348225003 1.0000000000
|
|
1 -0.0000000281 0.0000000225
|
|
2 0.0000008006 0.0000001782
|
|
3 -0.4810915631 -0.0931941732
|
|
4 0.0000000082 -0.0000000044
|
|
5 -0.2665255630 -0.0516297637
|
|
|
|
orbital 1 13 14 0.1984516854 1.0000000000
|
|
1 0.1034413510 -0.3040128737
|
|
2 -0.0000000066 -0.0000000106
|
|
3 0.0000000024 -0.0000000041
|
|
4 0.1034413361 -0.3040128818
|
|
5 0.0000000177 0.0000000235
|
|
|
|
orbital 1 13 15 0.6079843709 1.0000000000
|
|
1 0.2020765002 0.3650897061
|
|
2 -0.0000000086 0.0000000005
|
|
3 0.0000000016 -0.0000000029
|
|
4 -0.2020764974 -0.3650897273
|
|
5 0.0000000116 0.0000000012
|
|
|
|
orbital 1 13 16 1.5108721538 1.0000000000
|
|
1 0.0000000000 -0.0000000214
|
|
2 0.0007910272 -0.0030503019
|
|
3 -0.0098930251 0.0381479512
|
|
4 -0.0000000494 0.0000000090
|
|
5 0.0164423381 -0.0634021369
|
|
|
|
orbital 1 13 17 1.7093498713 1.0000000000
|
|
1 0.1002993048 0.2395394094
|
|
2 -0.0000000000 -0.0000000001
|
|
3 0.0000000005 0.0000000011
|
|
4 0.1002993101 0.2395394221
|
|
5 0.0000000004 0.0000000009
|
|
|
|
orbital 1 13 18 1.8370285448 1.0000000000
|
|
1 -0.0000000006 -0.0000000019
|
|
2 -0.0000000001 -0.0000000003
|
|
3 0.0440734569 0.1442263744
|
|
4 -0.0000000006 -0.0000000018
|
|
5 0.0244167942 0.0799017355
|
|
|
|
orbital 1 13 19 2.8843438509 1.0000000000
|
|
1 0.0000000004 -0.0000000005
|
|
2 0.0000000004 -0.0000000006
|
|
3 0.0322175822 -0.0434324409
|
|
4 0.0000000001 -0.0000000001
|
|
5 0.0178486133 -0.0240616704
|
|
|
|
orbital 1 13 20 5.8996117570 0.2052693418
|
|
1 -0.3300001720 -0.4392776355
|
|
2 -0.0000000013 -0.0000000018
|
|
3 -0.0000000005 -0.0000000006
|
|
4 -0.3300021505 -0.4392802692
|
|
5 0.0000000008 0.0000000011
|
|
|
|
orbital 1 13 21 5.9904359237 0.0000000000
|
|
1 0.1919560445 0.5141200961
|
|
2 0.0000000008 0.0000000022
|
|
3 -0.0000000002 -0.0000000007
|
|
4 -0.1919548831 -0.5141169856
|
|
5 0.0000000004 0.0000000012
|
|
|
|
orbital 1 13 22 6.2730969794 0.0000000000
|
|
1 -0.0000000003 -0.0000000041
|
|
2 0.0482270105 0.5904325769
|
|
3 0.0017769437 0.0217547267
|
|
4 0.0000000000 0.0000000001
|
|
5 -0.0029532924 -0.0361565028
|
|
|
|
orbital 1 13 23 7.5215231453 0.0000000000
|
|
1 -0.0000000001 -0.0000000000
|
|
2 0.0075447192 0.0040744106
|
|
3 -0.3406512792 -0.1839635314
|
|
4 0.0000000023 0.0000000012
|
|
5 0.5661647987 0.3057486705
|
|
|
|
orbital 1 13 24 9.8885519625 0.0000000000
|
|
1 0.0000000000 -0.0000000000
|
|
2 0.0000000001 0.0000000001
|
|
3 -0.3765461098 -0.3932170419
|
|
4 0.0000000001 0.0000000001
|
|
5 -0.2086073104 -0.2178430407
|
|
|
|
orbital 1 13 25 11.1923222699 0.0000000000
|
|
1 0.0000000000 0.0000000000
|
|
2 -0.0069121417 -0.1321674741
|
|
3 0.0021983787 0.0420353305
|
|
4 0.0000000000 -0.0000000000
|
|
5 -0.0036537204 -0.0698630054
|
|
|
|
orbital 1 13 26 12.0567037886 0.0000000000
|
|
1 -0.0000000001 0.0000000002
|
|
2 0.0036008929 0.1057936124
|
|
3 0.0010821812 0.0317942951
|
|
4 0.0000000000 0.0000000001
|
|
5 -0.0017985926 -0.0528423389
|
|
|
|
orbital 1 13 27 12.1325741501 0.0000000000
|
|
1 0.0000000000 -0.0000000000
|
|
2 -0.0000000001 0.0000000013
|
|
3 0.0088020193 -0.0844708682
|
|
4 0.0000000000 -0.0000000000
|
|
5 0.0048763383 -0.0467970489
|
|
|
|
orbital 1 13 28 12.8042930800 0.0000000000
|
|
1 -0.0201203878 0.0179408841
|
|
2 0.0000000001 0.0000000001
|
|
3 -0.0000000001 -0.0000000001
|
|
4 -0.0201203885 0.0179408849
|
|
5 0.0000000001 0.0000000001
|
|
|
|
orbital 1 13 29 12.9354083877 0.0000000000
|
|
1 0.0021819457 -0.0091502211
|
|
2 0.0000000003 0.0000000003
|
|
3 0.0000000000 -0.0000000004
|
|
4 -0.0021819416 0.0091502064
|
|
5 0.0000000004 0.0000000002
|
|
|
|
orbital 1 13 30 14.0837602393 0.0000000000
|
|
1 -0.0000000065 -0.0000000003
|
|
2 -0.1396720782 0.0609332771
|
|
3 -0.0112446608 0.0049055980
|
|
4 -0.0000000012 0.0000000024
|
|
5 0.0186886934 -0.0081531271
|
|
|
|
orbital 1 13 31 17.8580242959 0.0000000000
|
|
1 0.0000015435 0.0000007332
|
|
2 -0.0000003777 -0.0000000899
|
|
3 0.0177993554 -0.0699086434
|
|
4 0.0000015968 0.0000008534
|
|
5 0.0098600929 -0.0387288779
|
|
|
|
orbital 1 13 32 17.9890103450 0.0000000000
|
|
1 0.0000152964 0.0000069642
|
|
2 0.0611338897 -0.0334274895
|
|
3 -0.0234768418 0.0128370008
|
|
4 0.0000154251 0.0000084066
|
|
5 0.0390314327 -0.0213390329
|
|
|
|
orbital 1 14 1 -34.3556275198 1.0000000000
|
|
1 0.0060699118 0.0193139687
|
|
2 0.0060697875 0.0193135857
|
|
3 0.0000003935 0.0000012519
|
|
4 0.0060697175 0.0193133690
|
|
5 0.0000001492 0.0000004760
|
|
|
|
orbital 1 14 2 -34.3552543610 1.0000000000
|
|
1 0.0019910941 0.0000876004
|
|
2 0.0082040614 0.0003574706
|
|
3 0.0076372633 0.0003360056
|
|
4 -0.0101962295 -0.0004451130
|
|
5 0.0407410792 0.0017770509
|
|
|
|
orbital 1 14 3 -34.3552543434 1.0000000000
|
|
1 -0.0040787906 0.0098195000
|
|
2 0.0027013439 -0.0065050615
|
|
3 -0.0156431289 0.0376601366
|
|
4 0.0013781223 -0.0033160646
|
|
5 0.0029298278 -0.0070609359
|
|
|
|
orbital 1 14 4 -29.1153378862 1.0000000000
|
|
1 0.1626382174 -0.0637709408
|
|
2 0.1626383343 -0.0637709138
|
|
3 0.0000000082 -0.0000000060
|
|
4 0.1626384107 -0.0637709685
|
|
5 0.0000000008 -0.0000000192
|
|
|
|
orbital 1 14 5 -13.7053947946 1.0000000000
|
|
1 0.1030005821 0.0148586319
|
|
2 0.1030005707 0.0148586303
|
|
3 0.0000000076 0.0000000023
|
|
4 0.1030005637 0.0148586313
|
|
5 -0.0000000027 0.0000000004
|
|
|
|
orbital 1 14 6 -13.1555603269 1.0000000000
|
|
1 0.0615984542 0.0569273854
|
|
2 -0.0417367050 -0.0385812394
|
|
3 0.2642247312 0.2441883423
|
|
4 -0.0198617388 -0.0183461475
|
|
5 -0.0541739209 -0.0501127315
|
|
|
|
orbital 1 14 7 -13.1555603140 1.0000000000
|
|
1 -0.0051226238 -0.0164240561
|
|
2 -0.0190344804 -0.0611417410
|
|
3 -0.0219733430 -0.0704504886
|
|
4 0.0241571034 0.0775658014
|
|
5 -0.1069651114 -0.3435129127
|
|
|
|
orbital 1 14 8 -11.2535327265 1.0000000000
|
|
1 0.0719998201 0.1873201263
|
|
2 -0.0405799041 -0.1058051813
|
|
3 -0.0174550941 -0.0454124772
|
|
4 -0.0314199275 -0.0815149455
|
|
5 0.0012821081 0.0033998680
|
|
|
|
orbital 1 14 9 -11.2535327241 1.0000000000
|
|
1 0.0103283306 0.0108612050
|
|
2 0.1137976669 0.1212685831
|
|
3 -0.0025039225 -0.0026331102
|
|
4 -0.1241259880 -0.1321297872
|
|
5 -0.0333018055 -0.0354677788
|
|
|
|
orbital 1 14 10 -10.9104119671 1.0000000000
|
|
1 -0.0613970859 -0.0457089808
|
|
2 -0.0613970810 -0.0457089747
|
|
3 0.0000000007 -0.0000000005
|
|
4 -0.0613970774 -0.0457089691
|
|
5 0.0000000007 -0.0000000008
|
|
|
|
orbital 1 14 11 -1.2692127170 1.0000000000
|
|
1 0.0297584284 -0.1908102836
|
|
2 0.0297584368 -0.1908102617
|
|
3 -0.0000000113 0.0000000682
|
|
4 0.0297584364 -0.1908102594
|
|
5 0.0000000064 -0.0000000273
|
|
|
|
orbital 1 14 12 -0.7076273133 1.0000000000
|
|
1 0.0148538479 0.0126619034
|
|
2 -0.0510856694 -0.0435852755
|
|
3 -0.1278889432 -0.1090165973
|
|
4 0.0362316654 0.0309232534
|
|
5 0.4340429974 0.3703721467
|
|
|
|
orbital 1 14 13 -0.7076272744 1.0000000000
|
|
1 0.0178535781 -0.0638215352
|
|
2 -0.0043648131 0.0156348264
|
|
3 -0.1537158298 0.5494909099
|
|
4 -0.0134888114 0.0481869417
|
|
5 -0.0453541848 0.1618122442
|
|
|
|
orbital 1 14 14 -0.5032019916 1.0000000000
|
|
1 0.1213327664 0.3225469511
|
|
2 0.1213327274 0.3225468681
|
|
3 -0.0000000373 -0.0000000961
|
|
4 0.1213327415 0.3225468706
|
|
5 0.0000000103 0.0000000443
|
|
|
|
orbital 1 14 15 -0.2378721748 1.0000000000
|
|
1 0.0266569921 0.5026002729
|
|
2 -0.0139727804 -0.2522951878
|
|
3 0.0056421212 0.1063785265
|
|
4 -0.0126841985 -0.2503051387
|
|
5 -0.0001574634 -0.0002431832
|
|
|
|
orbital 1 14 16 -0.2378721697 1.0000000000
|
|
1 0.0009209482 0.0010126122
|
|
2 0.4144881373 0.1329325124
|
|
3 0.0001949275 0.0002143258
|
|
4 -0.4154090523 -0.1339451164
|
|
5 0.1014132922 0.0326123994
|
|
|
|
orbital 1 14 17 2.7101360706 1.0000000000
|
|
1 -0.0013674102 0.0012966304
|
|
2 0.0146313505 -0.0138718485
|
|
3 -0.0066877023 0.0063415339
|
|
4 -0.0132639401 0.0125752178
|
|
5 0.0787677318 -0.0746783913
|
|
|
|
orbital 1 14 18 2.7101360724 1.0000000000
|
|
1 0.0208436591 0.0076205843
|
|
2 -0.0088891415 -0.0032497895
|
|
3 0.1019417454 0.0372705993
|
|
4 -0.0119545180 -0.0043707949
|
|
5 0.0086556819 0.0031653749
|
|
|
|
orbital 1 14 19 3.0297424191 1.0000000000
|
|
1 0.0000000000 0.0000000000
|
|
2 0.0000000002 0.0000000001
|
|
3 0.0000000000 0.0000000000
|
|
4 -0.0000000002 -0.0000000001
|
|
5 -0.0000000012 -0.0000000008
|
|
|
|
orbital 1 14 20 6.4002579161 0.0027007589
|
|
1 -0.2900054497 -0.2229375911
|
|
2 -0.2900093597 -0.2229405968
|
|
3 -0.0000001993 -0.0000001532
|
|
4 -0.2900092747 -0.2229405315
|
|
5 0.0000000037 0.0000000029
|
|
|
|
orbital 1 14 21 6.4468297556 0.0000000000
|
|
1 -0.0047555851 0.0019237530
|
|
2 0.4263465813 -0.1724622114
|
|
3 0.0003693185 -0.0001493986
|
|
4 -0.4215911768 0.1705385315
|
|
5 -0.0380194719 0.0153793212
|
|
|
|
orbital 1 14 22 6.4468301629 0.0000000000
|
|
1 0.3866061026 0.3597509764
|
|
2 -0.1900482755 -0.1768467322
|
|
3 -0.0300240712 -0.0279384853
|
|
4 -0.1965528663 -0.1828996280
|
|
5 -0.0002916501 -0.0002713972
|
|
|
|
orbital 1 14 23 9.8449521442 0.0000000000
|
|
1 -0.0004565991 -0.0008110332
|
|
2 -0.0080112788 -0.0142300410
|
|
3 -0.0155637349 -0.0276450494
|
|
4 0.0084678780 0.0150410744
|
|
5 -0.3243046254 -0.5760463499
|
|
|
|
orbital 1 14 24 9.8449526512 0.0000000000
|
|
1 0.0188784146 0.0044413935
|
|
2 -0.0102238190 -0.0024052875
|
|
3 0.6434935199 0.1513902517
|
|
4 -0.0086545909 -0.0020361049
|
|
5 -0.0308819146 -0.0072653974
|
|
|
|
orbital 1 14 25 11.3939399397 0.0000000000
|
|
1 0.0293906789 0.0663928069
|
|
2 0.0293906764 0.0663928002
|
|
3 -0.0000000009 -0.0000000019
|
|
4 0.0293906767 0.0663928012
|
|
5 0.0000000003 0.0000000007
|
|
|
|
orbital 1 14 26 11.5153814289 0.0000000000
|
|
1 0.0003845987 -0.0000014452
|
|
2 0.0611186051 -0.0002365905
|
|
3 0.0000060358 -0.0000000227
|
|
4 -0.0615032032 0.0002380356
|
|
5 0.0011107565 -0.0000042994
|
|
|
|
orbital 1 14 27 11.5153814471 0.0000000000
|
|
1 -0.0702482677 0.0087917006
|
|
2 0.0354546160 -0.0044372486
|
|
3 -0.0011021406 0.0001379349
|
|
4 0.0347936334 -0.0043544496
|
|
5 0.0000059857 -0.0000007498
|
|
|
|
orbital 1 14 28 12.8153679747 0.0000000000
|
|
1 -0.0015089929 -0.0001441419
|
|
2 0.0559179729 0.0053213502
|
|
3 -0.0006556759 -0.0000626316
|
|
4 -0.0544089803 -0.0051772087
|
|
5 0.0276772291 0.0026337267
|
|
|
|
orbital 1 14 29 12.8153679798 0.0000000000
|
|
1 0.0402646749 0.0497276739
|
|
2 -0.0193058632 -0.0238438783
|
|
3 0.0174954805 0.0216072663
|
|
4 -0.0209588113 -0.0258837949
|
|
5 0.0004146675 0.0005117446
|
|
|
|
orbital 1 14 30 15.0673112470 0.0000000000
|
|
1 0.0435382045 -0.0941761598
|
|
2 0.0435379505 -0.0941763587
|
|
3 0.0000000928 0.0000000519
|
|
4 0.0435381369 -0.0941763732
|
|
5 -0.0000000355 -0.0000000567
|
|
|
|
orbital 1 14 31 17.2578563351 0.0000000000
|
|
1 0.0680388349 -0.0119025609
|
|
2 0.0680272688 -0.0118859737
|
|
3 0.0000037791 -0.0000030913
|
|
4 0.0680261813 -0.0118971225
|
|
5 0.0000000139 0.0000024327
|
|
|
|
orbital 1 14 32 18.8701501779 0.0000000000
|
|
1 0.0084783750 0.0526612360
|
|
2 0.0712112122 0.0084945741
|
|
3 0.0037383317 0.0232266820
|
|
4 -0.0796938703 -0.0611629225
|
|
5 0.0384234870 0.0177373145
|
|
|
|
orbital 1 15 1 -34.3556275200 1.0000000000
|
|
1 -0.0092773576 -0.0179945395
|
|
2 0.0092771724 0.0179941879
|
|
3 0.0000006057 0.0000011599
|
|
4 -0.0092770771 -0.0179940054
|
|
5 0.0000002234 0.0000004384
|
|
|
|
orbital 1 15 2 -34.3552543610 1.0000000000
|
|
1 -0.0001573641 -0.0020848652
|
|
2 0.0006070084 0.0081240370
|
|
3 0.0006035590 0.0079968739
|
|
4 0.0007644413 0.0102099708
|
|
5 0.0030365848 0.0405943160
|
|
|
|
orbital 1 15 3 -34.3552543431 1.0000000000
|
|
1 0.0037924259 0.0099134816
|
|
2 0.0025424667 0.0066494282
|
|
3 -0.0145449142 -0.0380205970
|
|
4 -0.0012505855 -0.0032656728
|
|
5 0.0028604102 0.0074921411
|
|
|
|
orbital 1 15 4 -29.1153378772 1.0000000000
|
|
1 -0.1198718680 -0.1270779493
|
|
2 0.1198717460 0.1270777206
|
|
3 -0.0000002068 -0.0000000143
|
|
4 -0.1198715237 -0.1270774247
|
|
5 -0.0000001417 -0.0000002172
|
|
|
|
orbital 1 15 5 -13.7053947944 1.0000000000
|
|
1 0.0949295219 0.0426411835
|
|
2 -0.0949295380 -0.0426412203
|
|
3 -0.0000000429 0.0000000060
|
|
4 0.0949295843 0.0426412731
|
|
5 -0.0000000267 -0.0000000383
|
|
|
|
orbital 1 15 6 -13.1555603270 1.0000000000
|
|
1 0.0394322490 -0.0740322049
|
|
2 0.0263248905 -0.0503536084
|
|
3 -0.1691435360 0.3175588578
|
|
4 -0.0131073763 0.0236785894
|
|
5 0.0327335211 -0.0660614826
|
|
|
|
orbital 1 15 7 -13.1555603138 1.0000000000
|
|
1 0.0171870809 -0.0001613550
|
|
2 -0.0639932079 0.0027343463
|
|
3 -0.0737232476 0.0006922293
|
|
4 -0.0811802283 0.0028956904
|
|
5 -0.3595256880 0.0139430582
|
|
|
|
orbital 1 15 8 -11.2535327266 1.0000000000
|
|
1 -0.1929778929 0.0545272603
|
|
2 -0.1106730772 0.0306732282
|
|
3 -0.0467841106 0.0132191807
|
|
4 0.0823048119 -0.0238540307
|
|
5 0.0039706604 -0.0009544766
|
|
|
|
orbital 1 15 9 -11.2535327240 1.0000000000
|
|
1 -0.0017728150 0.0167514450
|
|
2 0.0241920870 -0.1634711199
|
|
3 -0.0004297784 0.0040610872
|
|
4 0.0259649279 -0.1802225666
|
|
5 -0.0070203917 0.0481062851
|
|
|
|
orbital 1 15 10 -10.9104119671 1.0000000000
|
|
1 -0.0222335514 -0.0732432844
|
|
2 0.0222335536 0.0732432915
|
|
3 0.0000000154 -0.0000000037
|
|
4 -0.0222335734 -0.0732433219
|
|
5 0.0000000135 0.0000000189
|
|
|
|
orbital 1 15 11 -1.2692127168 1.0000000000
|
|
1 0.1815198363 0.0659140744
|
|
2 -0.1815198359 -0.0659140778
|
|
3 0.0000000566 0.0000000315
|
|
4 0.1815198557 0.0659141065
|
|
5 -0.0000000399 -0.0000000257
|
|
|
|
orbital 1 15 12 -0.7076273134 1.0000000000
|
|
1 0.0169485592 0.0091930551
|
|
2 0.0590942454 0.0317716641
|
|
3 0.1459242905 0.0791505901
|
|
4 0.0421455056 0.0225785297
|
|
5 -0.5032493357 -0.2701674861
|
|
|
|
orbital 1 15 13 -0.7076272743 1.0000000000
|
|
1 -0.0661725455 -0.0047241804
|
|
2 -0.0164257687 -0.0012447611
|
|
3 -0.5697331734 -0.0406743688
|
|
4 0.0497470696 0.0034793984
|
|
5 -0.1656360851 -0.0111081028
|
|
|
|
orbital 1 15 14 -0.5032019894 1.0000000000
|
|
1 0.2974727586 0.1739770967
|
|
2 -0.2974727383 -0.1739771044
|
|
3 0.0000000363 0.0000001068
|
|
4 0.2974729067 0.1739772428
|
|
5 -0.0000001381 -0.0000000963
|
|
|
|
orbital 1 15 15 -0.2378721761 1.0000000000
|
|
1 -0.1243154651 -0.4786400848
|
|
2 -0.0833350129 -0.3176026632
|
|
3 0.0263121482 0.1013072058
|
|
4 0.0409804511 0.1610374904
|
|
5 -0.0051757262 -0.0191322350
|
|
|
|
orbital 1 15 16 -0.2378721692 1.0000000000
|
|
1 -0.0933828330 0.0069645409
|
|
2 0.3800469063 -0.0326764667
|
|
3 0.0197650520 -0.0014740846
|
|
4 0.4734297056 -0.0396410024
|
|
5 0.1042946697 -0.0088371967
|
|
|
|
orbital 1 15 17 2.7101360707 1.0000000000
|
|
1 -0.0104092992 -0.0128657383
|
|
2 -0.0133245303 -0.0164687488
|
|
3 0.0509095896 0.0629234923
|
|
4 -0.0029152309 -0.0036030102
|
|
5 -0.0458560981 -0.0566764833
|
|
|
|
orbital 1 15 18 2.7101360737 1.0000000000
|
|
1 0.0096987822 -0.0113196893
|
|
2 -0.0044756474 0.0052238233
|
|
3 -0.0474346088 0.0553621086
|
|
4 -0.0141744302 0.0165435133
|
|
5 -0.0526620910 0.0614642728
|
|
|
|
orbital 1 15 19 3.0297424173 1.0000000000
|
|
1 -0.0000000002 0.0000000004
|
|
2 -0.0000000003 0.0000000005
|
|
3 0.0000000001 -0.0000000001
|
|
4 -0.0000000001 0.0000000002
|
|
5 0.0000000005 -0.0000000008
|
|
|
|
orbital 1 15 20 6.4002579183 0.0027008007
|
|
1 -0.2281562934 -0.2859178738
|
|
2 0.2281593674 0.2859217260
|
|
3 0.0000001569 0.0000001967
|
|
4 -0.2281593190 -0.2859216654
|
|
5 -0.0000000018 -0.0000000023
|
|
|
|
orbital 1 15 21 6.4468297552 0.0000000000
|
|
1 0.0036714121 0.0068373146
|
|
2 0.2181787041 0.4063233273
|
|
3 0.0002851231 0.0005309882
|
|
4 0.2145073834 0.3994861829
|
|
5 -0.0194005947 -0.0361305440
|
|
|
|
orbital 1 15 22 6.4468301610 0.0000000000
|
|
1 0.5171909937 0.1066049411
|
|
2 0.2520096707 0.0519449343
|
|
3 0.0401653746 0.0082790061
|
|
4 -0.2651746712 -0.0546586358
|
|
5 0.0005902871 0.0001216759
|
|
|
|
orbital 1 15 23 9.8449521447 0.0000000000
|
|
1 -0.0006543550 -0.0006672343
|
|
2 0.0114326906 0.0116576446
|
|
3 0.0223044827 0.0227434880
|
|
4 0.0120870467 0.0123248800
|
|
5 0.4628610171 0.4719685249
|
|
|
|
orbital 1 15 24 9.8449526509 0.0000000000
|
|
1 -0.0071821420 -0.0180147225
|
|
2 -0.0038908003 -0.0097591557
|
|
3 0.2448119681 0.6140535329
|
|
4 0.0032913395 0.0082555611
|
|
5 -0.0117971899 -0.0295902443
|
|
|
|
orbital 1 15 25 11.3939399398 0.0000000000
|
|
1 -0.0401088968 -0.0605234929
|
|
2 0.0401088931 0.0605234873
|
|
3 -0.0000000011 -0.0000000015
|
|
4 -0.0401088934 -0.0605234878
|
|
5 0.0000000003 0.0000000004
|
|
|
|
orbital 1 15 26 11.5153814287 0.0000000000
|
|
1 0.0002244444 -0.0000271898
|
|
2 0.0609773440 -0.0074022931
|
|
3 -0.0000035198 0.0000004264
|
|
4 0.0607528989 -0.0073751033
|
|
5 0.0011026806 -0.0001338595
|
|
|
|
orbital 1 15 27 11.5153814472 0.0000000000
|
|
1 -0.0346127914 -0.0617589232
|
|
2 -0.0172106236 -0.0307086770
|
|
3 0.0005430477 0.0009689493
|
|
4 0.0174021588 0.0310502302
|
|
5 0.0000017359 0.0000030955
|
|
|
|
orbital 1 15 28 12.8153679749 0.0000000000
|
|
1 -0.0017056994 -0.0055245022
|
|
2 -0.0171371384 -0.0555072714
|
|
3 0.0007411468 0.0024004622
|
|
4 -0.0154314392 -0.0499827696
|
|
5 -0.0081703333 -0.0264638143
|
|
|
|
orbital 1 15 29 12.8153679801 0.0000000000
|
|
1 0.0522106699 0.0365650081
|
|
2 0.0220039572 0.0154100744
|
|
3 -0.0226861577 -0.0158879314
|
|
4 -0.0302067121 -0.0211549332
|
|
5 -0.0020577880 -0.0014411867
|
|
|
|
orbital 1 15 30 15.0673112477 0.0000000000
|
|
1 0.0675483184 -0.0787525310
|
|
2 -0.0675484570 0.0787526941
|
|
3 0.0000000216 -0.0000000129
|
|
4 0.0675481762 -0.0787524506
|
|
5 -0.0000001325 0.0000001063
|
|
|
|
orbital 1 15 31 17.2578563675 0.0000000000
|
|
1 -0.0548384066 -0.0419800208
|
|
2 0.0548498903 0.0419923535
|
|
3 -0.0000008039 -0.0000001876
|
|
4 -0.0548306675 -0.0419694367
|
|
5 0.0000050589 0.0000064385
|
|
|
|
orbital 1 15 32 18.8701492728 0.0000000000
|
|
1 0.0106606083 0.1087753956
|
|
2 0.0076673674 0.0457099114
|
|
3 -0.0047017266 -0.0479724444
|
|
4 -0.0029949169 -0.0630668651
|
|
5 0.0011893832 -0.0044188553
|
|
|
|
orbital 1 16 1 -34.3571223906 1.0000000000
|
|
1 -0.0000000195 -0.0000000077
|
|
2 0.0309103709 0.0064803605
|
|
3 0.0053317412 0.0011178053
|
|
4 -0.0000000154 -0.0000000069
|
|
5 -0.0088641715 -0.0018583784
|
|
|
|
orbital 1 16 2 -34.3566437941 1.0000000000
|
|
1 0.0000000074 -0.0000000149
|
|
2 0.0000010054 -0.0000001770
|
|
3 0.0396726327 -0.0067978674
|
|
4 0.0000000066 -0.0000000018
|
|
5 0.0219783579 -0.0037659713
|
|
|
|
orbital 1 16 3 -34.3294817067 1.0000000000
|
|
1 0.0026465900 0.0050460500
|
|
2 0.0000000088 0.0000000186
|
|
3 0.0000000046 0.0000000001
|
|
4 -0.0026465719 -0.0050460239
|
|
5 0.0000000032 0.0000000114
|
|
|
|
orbital 1 16 4 -29.1330551661 1.0000000000
|
|
1 -0.0000000770 -0.0000003205
|
|
2 0.0026907183 -0.3400751978
|
|
3 -0.0000974309 0.0123095814
|
|
4 -0.0000000018 0.0000000011
|
|
5 0.0001619216 -0.0204587481
|
|
|
|
orbital 1 16 5 -14.1262943675 1.0000000000
|
|
1 0.0000000130 -0.0000000104
|
|
2 0.0554400204 -0.0352557940
|
|
3 -0.1670174175 0.1062108336
|
|
4 0.0000000088 -0.0000000052
|
|
5 0.2775840489 -0.1765231250
|
|
|
|
orbital 1 16 6 -13.4204398377 1.0000000000
|
|
1 -0.0000000077 0.0000000157
|
|
2 -0.0000000052 0.0000000092
|
|
3 0.1892498501 0.2718366987
|
|
4 0.0000000019 0.0000000112
|
|
5 0.1048448229 0.1505981205
|
|
|
|
orbital 1 16 7 -13.1375435620 1.0000000000
|
|
1 -0.0000000343 0.0000000249
|
|
2 -0.0444725438 0.0302965985
|
|
3 -0.1939662888 0.1321381499
|
|
4 -0.0000000103 0.0000000197
|
|
5 0.3223732552 -0.2196144666
|
|
|
|
orbital 1 16 8 -11.0855568357 1.0000000000
|
|
1 0.0362643170 -0.0698272280
|
|
2 -0.0000000081 -0.0000000070
|
|
3 -0.0000000031 0.0000000030
|
|
4 -0.0362643324 0.0698272247
|
|
5 -0.0000000034 -0.0000000041
|
|
|
|
orbital 1 16 9 -10.8760294540 1.0000000000
|
|
1 0.0000000011 0.0000000197
|
|
2 -0.0000000007 0.0000000126
|
|
3 0.0259258040 0.0563992038
|
|
4 0.0000000023 0.0000000131
|
|
5 0.0143629479 0.0312452862
|
|
|
|
orbital 1 16 10 -10.7875709957 1.0000000000
|
|
1 0.0000000035 0.0000000145
|
|
2 -0.0151118959 0.1096086897
|
|
3 0.0003521788 -0.0025543634
|
|
4 0.0000000022 -0.0000000048
|
|
5 -0.0005853168 0.0042453782
|
|
|
|
orbital 1 16 11 -1.2170847568 1.0000000000
|
|
1 0.0000000113 -0.0000000424
|
|
2 -0.2036550767 0.2850870046
|
|
3 0.0630375383 -0.0882432465
|
|
4 0.0000000036 -0.0000000074
|
|
5 -0.1047688628 0.1466609344
|
|
|
|
orbital 1 16 12 -0.7514101098 1.0000000000
|
|
1 -0.0000000509 0.0000000290
|
|
2 0.5263564730 0.1463176400
|
|
3 0.0787619689 0.0218944192
|
|
4 -0.0000000021 0.0000000060
|
|
5 -0.1309045638 -0.0363891055
|
|
|
|
orbital 1 16 13 -0.7348225002 1.0000000000
|
|
1 0.0000000190 -0.0000000668
|
|
2 -0.0000008007 -0.0000001683
|
|
3 -0.4851004055 -0.0693676977
|
|
4 -0.0000000199 -0.0000000358
|
|
5 -0.2687463898 -0.0384298324
|
|
|
|
orbital 1 16 14 0.1984516858 1.0000000000
|
|
1 0.1825053346 0.2642267415
|
|
2 -0.0000000029 0.0000000580
|
|
3 0.0000000268 0.0000000130
|
|
4 -0.1825053137 -0.2642266514
|
|
5 -0.0000000096 0.0000000282
|
|
|
|
orbital 1 16 15 0.6079843705 1.0000000000
|
|
1 0.2920223618 0.2980743407
|
|
2 -0.0000000357 -0.0000000357
|
|
3 -0.0000000210 0.0000000036
|
|
4 0.2920223850 0.2980743723
|
|
5 -0.0000000096 -0.0000000172
|
|
|
|
orbital 1 16 16 1.5108721575 1.0000000000
|
|
1 -0.0000000316 0.0000000149
|
|
2 0.0031202907 -0.0004399174
|
|
3 0.0390240012 -0.0055015870
|
|
4 0.0000000085 -0.0000000218
|
|
5 -0.0648581357 0.0091436531
|
|
|
|
orbital 1 16 17 1.7093498715 1.0000000000
|
|
1 0.2173068790 -0.1421857922
|
|
2 -0.0000000001 0.0000000001
|
|
3 -0.0000000010 0.0000000007
|
|
4 -0.2173068905 0.1421857997
|
|
5 -0.0000000008 0.0000000005
|
|
|
|
orbital 1 16 18 1.8370285404 1.0000000000
|
|
1 -0.0000000020 0.0000000001
|
|
2 -0.0000000005 0.0000000000
|
|
3 -0.1504879246 0.0098539968
|
|
4 0.0000000019 -0.0000000001
|
|
5 -0.0833706484 0.0054591364
|
|
|
|
orbital 1 16 19 2.8843438509 1.0000000000
|
|
1 0.0000000006 -0.0000000002
|
|
2 0.0000000006 -0.0000000002
|
|
3 -0.0525582104 0.0127272937
|
|
4 -0.0000000001 0.0000000000
|
|
5 -0.0291173679 0.0070509496
|
|
|
|
orbital 1 16 20 5.8996117597 0.2326406157
|
|
1 -0.3487781191 -0.4245218232
|
|
2 -0.0000000014 -0.0000000017
|
|
3 0.0000000005 0.0000000006
|
|
4 0.3487802102 0.4245243684
|
|
5 -0.0000000009 -0.0000000011
|
|
|
|
orbital 1 16 21 5.9904359210 0.0257788632
|
|
1 0.4878604055 0.2513141877
|
|
2 0.0000000021 0.0000000011
|
|
3 0.0000000006 0.0000000003
|
|
4 0.4878574538 0.2513126672
|
|
5 -0.0000000011 -0.0000000006
|
|
|
|
orbital 1 16 22 6.2730969791 0.0035071194
|
|
1 -0.0000000023 0.0000000035
|
|
2 0.3232524235 -0.4964316097
|
|
3 -0.0119103662 0.0182912234
|
|
4 -0.0000000001 0.0000000001
|
|
5 0.0197951100 -0.0304001381
|
|
|
|
orbital 1 16 23 7.5215231456 0.0000000000
|
|
1 0.0000000001 -0.0000000000
|
|
2 -0.0085183781 0.0009802412
|
|
3 -0.3846128339 0.0442588179
|
|
4 0.0000000025 -0.0000000003
|
|
5 0.6392292085 -0.0735584636
|
|
|
|
orbital 1 16 24 9.8885519625 0.0000000000
|
|
1 -0.0000000000 0.0000000000
|
|
2 -0.0000000016 -0.0000000004
|
|
3 0.5315494599 0.1177360886
|
|
4 -0.0000000002 -0.0000000000
|
|
5 0.2944794815 0.0652260325
|
|
|
|
orbital 1 16 25 11.1923222699 0.0000000000
|
|
1 -0.0000000000 -0.0000000000
|
|
2 0.0252048519 0.1299258802
|
|
3 0.0080163012 0.0413224004
|
|
4 0.0000000000 -0.0000000000
|
|
5 -0.0133231472 -0.0686781113
|
|
|
|
orbital 1 16 26 12.0567037889 0.0000000000
|
|
1 0.0000000003 -0.0000000002
|
|
2 0.0441660220 -0.0962009220
|
|
3 -0.0132732733 0.0289113909
|
|
4 -0.0000000004 0.0000000005
|
|
5 0.0220602718 -0.0480509323
|
|
|
|
orbital 1 16 27 12.1325741497 0.0000000000
|
|
1 -0.0000000000 0.0000000001
|
|
2 0.0000000010 0.0000000012
|
|
3 0.0487402533 0.0695499160
|
|
4 0.0000000000 -0.0000000001
|
|
5 0.0270022088 0.0385308084
|
|
|
|
orbital 1 16 28 12.8042930800 0.0000000000
|
|
1 0.0225723626 0.0147374963
|
|
2 -0.0000000001 -0.0000000002
|
|
3 -0.0000000001 -0.0000000003
|
|
4 -0.0225723634 -0.0147374968
|
|
5 0.0000000002 0.0000000002
|
|
|
|
orbital 1 16 29 12.9354083876 0.0000000000
|
|
1 0.0010941428 -0.0093429268
|
|
2 -0.0000000003 -0.0000000001
|
|
3 -0.0000000004 -0.0000000000
|
|
4 0.0010941404 -0.0093429114
|
|
5 0.0000000000 0.0000000000
|
|
|
|
orbital 1 16 30 14.0837602408 0.0000000000
|
|
1 -0.0000000083 0.0000000284
|
|
2 -0.0086952373 0.1521365978
|
|
3 0.0007000402 -0.0122481430
|
|
4 -0.0000000010 -0.0000000366
|
|
5 -0.0011634371 0.0203564953
|
|
|
|
orbital 1 16 31 17.8580242978 0.0000000000
|
|
1 0.0000006850 0.0000008303
|
|
2 -0.0000015581 -0.0000011465
|
|
3 -0.0719955508 -0.0045447873
|
|
4 -0.0000007613 -0.0000010974
|
|
5 -0.0398838751 -0.0025169770
|
|
|
|
orbital 1 16 32 17.9890119594 0.0000000000
|
|
1 0.0000048617 -0.0000377994
|
|
2 0.0306002280 -0.0625889437
|
|
3 0.0117502987 -0.0240419481
|
|
4 0.0000011173 0.0000410818
|
|
5 -0.0195486638 0.0399613330
|
|
|
|
orbital 1 17 1 -34.3556275200 1.0000000000
|
|
1 -0.0183919979 0.0084621085
|
|
2 -0.0183916428 0.0084619482
|
|
3 0.0000011840 -0.0000005467
|
|
4 0.0183914262 -0.0084618490
|
|
5 0.0000004705 -0.0000002167
|
|
|
|
orbital 1 17 2 -34.3552543609 1.0000000000
|
|
1 -0.0017936559 0.0004507804
|
|
2 -0.0080531797 0.0020340344
|
|
3 0.0068800400 -0.0017290436
|
|
4 -0.0098478654 0.0024850586
|
|
5 0.0396357110 -0.0100059831
|
|
|
|
orbital 1 17 3 -34.3552543433 1.0000000000
|
|
1 -0.0053810256 -0.0092008497
|
|
2 0.0035011643 0.0059831483
|
|
3 0.0206375109 0.0352874293
|
|
4 -0.0018807429 -0.0032192025
|
|
5 -0.0035878696 -0.0061197825
|
|
|
|
orbital 1 17 4 -29.1153378852 1.0000000000
|
|
1 -0.1482091304 0.0924772902
|
|
2 -0.1482089882 0.0924771072
|
|
3 0.0000000302 0.0000000387
|
|
4 0.1482092495 -0.0924772432
|
|
5 -0.0000000317 0.0000000444
|
|
|
|
orbital 1 17 5 -13.7053947946 1.0000000000
|
|
1 0.0572736422 -0.0868886107
|
|
2 0.0572736279 -0.0868885964
|
|
3 -0.0000000066 0.0000000011
|
|
4 -0.0572736494 0.0868886064
|
|
5 0.0000000049 -0.0000000037
|
|
|
|
orbital 1 17 6 -13.1555603269 1.0000000000
|
|
1 -0.0564269488 -0.0620524401
|
|
2 0.0382383520 0.0420688298
|
|
3 0.2420417223 0.2661720426
|
|
4 -0.0181886105 -0.0199835996
|
|
5 -0.0496537520 -0.0546946478
|
|
|
|
orbital 1 17 7 -13.1555603140 1.0000000000
|
|
1 0.0139849588 -0.0100500965
|
|
2 0.0520266284 -0.0373143475
|
|
3 -0.0599880448 0.0431095622
|
|
4 0.0660115795 -0.0473644353
|
|
5 -0.2923247801 0.2097092710
|
|
|
|
orbital 1 17 8 -11.2535327266 1.0000000000
|
|
1 0.1127581785 -0.1661892979
|
|
2 -0.0624153456 0.0924045570
|
|
3 0.0273362449 -0.0402896800
|
|
4 0.0503428413 -0.0737847613
|
|
5 -0.0016897739 0.0026061869
|
|
|
|
orbital 1 17 9 -11.2535327241 1.0000000000
|
|
1 0.0125783823 0.0024355618
|
|
2 0.1651185719 0.0282669335
|
|
3 0.0030494067 0.0005904589
|
|
4 0.1776969443 0.0307025101
|
|
5 0.0479833615 0.0082538599
|
|
|
|
orbital 1 17 10 -10.9104119671 1.0000000000
|
|
1 0.0733785148 -0.0217831370
|
|
2 0.0733785236 -0.0217831448
|
|
3 0.0000000012 0.0000000032
|
|
4 -0.0733785094 0.0217831395
|
|
5 -0.0000000020 0.0000000012
|
|
|
|
orbital 1 17 11 -1.2692127168 1.0000000000
|
|
1 -0.1922126751 0.0186655145
|
|
2 -0.1922127060 0.0186655239
|
|
3 -0.0000000713 -0.0000000022
|
|
4 0.1922126579 -0.0186655272
|
|
5 0.0000000345 -0.0000000037
|
|
|
|
orbital 1 17 12 -0.7076273135 1.0000000000
|
|
1 0.0186597742 0.0059440796
|
|
2 -0.0639933243 -0.0204064369
|
|
3 0.1606574062 0.0511773928
|
|
4 -0.0453333629 -0.0144623267
|
|
5 -0.5434487277 -0.1733280388
|
|
|
|
orbital 1 17 13 -0.7076272744 1.0000000000
|
|
1 -0.0641491160 -0.0165611224
|
|
2 0.0156546059 0.0040352759
|
|
3 -0.5523112622 -0.1425880955
|
|
4 -0.0484947054 -0.0125259186
|
|
5 -0.1632439706 -0.0422059020
|
|
|
|
orbital 1 17 14 -0.5032019905 1.0000000000
|
|
1 -0.3445338631 -0.0073855345
|
|
2 -0.3445338794 -0.0073855264
|
|
3 -0.0000001098 -0.0000000166
|
|
4 0.3445338112 0.0073855155
|
|
5 0.0000000559 -0.0000000001
|
|
|
|
orbital 1 17 15 -0.2378721761 1.0000000000
|
|
1 0.4931065950 -0.0402809516
|
|
2 -0.1667971462 0.0133509038
|
|
3 -0.1043691278 0.0085257108
|
|
4 0.3263094804 -0.0269300320
|
|
5 -0.0194923802 0.0016593670
|
|
|
|
orbital 1 17 16 -0.2378721692 1.0000000000
|
|
1 -0.0664799699 -0.0642127223
|
|
2 0.3424356594 0.3287215184
|
|
3 0.0140709089 0.0135910247
|
|
4 0.2759556593 0.2645087970
|
|
5 -0.0755673092 -0.0724926403
|
|
|
|
orbital 1 17 17 2.7101360709 1.0000000000
|
|
1 -0.0004822902 0.0167282819
|
|
2 -0.0001255672 0.0043589246
|
|
3 0.0023587750 -0.0818143420
|
|
4 -0.0006078574 0.0210872065
|
|
5 0.0020709658 -0.0718520599
|
|
|
|
orbital 1 17 18 2.7101360734 1.0000000000
|
|
1 0.0145591770 -0.0020111740
|
|
2 -0.0216363793 0.0029889234
|
|
3 -0.0712057301 0.0098362091
|
|
4 -0.0070772010 0.0009777493
|
|
5 0.0810783315 -0.0112006654
|
|
|
|
orbital 1 17 19 3.0297424173 1.0000000000
|
|
1 0.0000000003 -0.0000000003
|
|
2 0.0000000002 -0.0000000002
|
|
3 -0.0000000001 0.0000000001
|
|
4 0.0000000004 -0.0000000004
|
|
5 0.0000000007 -0.0000000006
|
|
|
|
orbital 1 17 20 6.4002579183 0.0027008017
|
|
1 0.3178166673 -0.1810991186
|
|
2 0.3178209750 -0.1811015733
|
|
3 -0.0000002186 0.0000001246
|
|
4 -0.3178208562 0.1811015056
|
|
5 0.0000000057 -0.0000000032
|
|
|
|
orbital 1 17 21 6.4468297553 0.0000000000
|
|
1 -0.0023970893 0.0008476220
|
|
2 0.4323933648 -0.1528961476
|
|
3 -0.0001861550 0.0000658253
|
|
4 0.4299964613 -0.1520485913
|
|
5 0.0386674681 -0.0136729825
|
|
|
|
orbital 1 17 22 6.4468301609 0.0000000000
|
|
1 -0.3045461918 0.4314585937
|
|
2 0.1510014049 -0.2139276601
|
|
3 -0.0236512469 0.0335073431
|
|
4 -0.1535408698 0.2175253840
|
|
5 -0.0001138633 0.0001613130
|
|
|
|
orbital 1 17 23 9.8449521447 0.0000000000
|
|
1 -0.0009257540 0.0000872425
|
|
2 -0.0162586185 0.0015321498
|
|
3 0.0315554498 -0.0029737652
|
|
4 -0.0171843714 0.0016193922
|
|
5 0.6581474970 -0.0620213533
|
|
|
|
orbital 1 17 24 9.8449526509 0.0000000000
|
|
1 -0.0192914357 -0.0019906396
|
|
2 0.0104467395 0.0010779779
|
|
3 0.6575718442 0.0678533506
|
|
4 -0.0088446903 -0.0009126611
|
|
5 -0.0315278484 -0.0032533853
|
|
|
|
orbital 1 17 25 11.3939399398 0.0000000000
|
|
1 0.0612069716 -0.0390579498
|
|
2 0.0612069657 -0.0390579461
|
|
3 0.0000000015 -0.0000000010
|
|
4 -0.0612069662 0.0390579466
|
|
5 -0.0000000009 0.0000000005
|
|
|
|
orbital 1 17 26 11.5153814287 0.0000000000
|
|
1 0.0009539107 0.0002455406
|
|
2 0.0588958276 0.0151526744
|
|
3 -0.0000149680 -0.0000038529
|
|
4 0.0598497377 0.0153982149
|
|
5 -0.0010756442 -0.0002767420
|
|
|
|
orbital 1 17 27 11.5153814471 0.0000000000
|
|
1 -0.0059471659 0.0705402154
|
|
2 0.0030451482 -0.0361201307
|
|
3 0.0000933064 -0.0011067208
|
|
4 -0.0029020162 0.0344200664
|
|
5 -0.0000012965 0.0000153982
|
|
|
|
orbital 1 17 28 12.8153679750 0.0000000000
|
|
1 0.0002930443 -0.0027751514
|
|
2 0.0056626489 -0.0536823840
|
|
3 -0.0001273311 0.0012058357
|
|
4 0.0059556934 -0.0564575350
|
|
5 -0.0029146416 0.0276303084
|
|
|
|
orbital 1 17 29 12.8153679800 0.0000000000
|
|
1 0.0639077614 -0.0020962166
|
|
2 -0.0343692857 0.0011275941
|
|
3 -0.0277686833 0.0009108310
|
|
4 0.0295384749 -0.0009686225
|
|
5 0.0012118843 -0.0000398805
|
|
|
|
orbital 1 17 30 15.0673112479 0.0000000000
|
|
1 0.0633172054 -0.0821932281
|
|
2 0.0633168238 -0.0821929782
|
|
3 -0.0000001872 -0.0000000060
|
|
4 -0.0633166251 0.0821932702
|
|
5 -0.0000000377 -0.0000001048
|
|
|
|
orbital 1 17 31 17.2578563142 0.0000000000
|
|
1 -0.0690417879 -0.0014598845
|
|
2 -0.0690491642 -0.0014567526
|
|
3 -0.0000024678 -0.0000000506
|
|
4 0.0690515054 0.0014620404
|
|
5 -0.0000006980 -0.0000014087
|
|
|
|
orbital 1 17 32 18.8701497556 0.0000000000
|
|
1 0.0449565006 -0.0320567746
|
|
2 -0.0886874933 -0.0326497459
|
|
3 -0.0198249547 0.0141383990
|
|
4 -0.0437388168 -0.0647052595
|
|
5 0.0337177589 0.0247894974
|
|
|
|
orbital 1 18 1 -34.3556275202 1.0000000000
|
|
1 0.0200437063 0.0028500596
|
|
2 -0.0200433125 -0.0028500043
|
|
3 0.0000012827 0.0000001824
|
|
4 -0.0200430937 -0.0028499709
|
|
5 0.0000004939 0.0000000715
|
|
|
|
orbital 1 18 2 -34.3552543610 1.0000000000
|
|
1 -0.0012355070 -0.0014990878
|
|
2 0.0052448483 0.0063618987
|
|
3 -0.0047390704 -0.0057500808
|
|
4 -0.0064810274 -0.0078618023
|
|
5 -0.0259629151 -0.0314934704
|
|
|
|
orbital 1 18 3 -34.3552543430 1.0000000000
|
|
1 0.0068716697 -0.0081263645
|
|
2 0.0045227216 -0.0053488510
|
|
3 0.0263544884 -0.0311665295
|
|
4 0.0023500708 -0.0027788406
|
|
5 -0.0048105643 0.0056903996
|
|
|
|
orbital 1 18 4 -29.1153378860 1.0000000000
|
|
1 0.0979760268 -0.1446326830
|
|
2 -0.0979759987 0.1446327410
|
|
3 0.0000000092 0.0000000394
|
|
4 -0.0979761280 0.1446327587
|
|
5 -0.0000000794 -0.0000000461
|
|
|
|
orbital 1 18 5 -13.7053947946 1.0000000000
|
|
1 -0.0306727218 0.0994438724
|
|
2 0.0306727309 -0.0994438726
|
|
3 -0.0000000002 0.0000000160
|
|
4 0.0306727042 -0.0994438615
|
|
5 -0.0000000156 -0.0000000060
|
|
|
|
orbital 1 18 6 -13.1555603269 1.0000000000
|
|
1 -0.0675052430 0.0497871805
|
|
2 -0.0457303397 0.0337287400
|
|
3 -0.2895617234 0.2135605990
|
|
4 -0.0217749152 0.0160584306
|
|
5 0.0593262790 -0.0437610173
|
|
|
|
orbital 1 18 7 -13.1555603140 1.0000000000
|
|
1 -0.0125366731 0.0117558336
|
|
2 0.0467173593 -0.0438142023
|
|
3 -0.0537756777 0.0504262995
|
|
4 -0.0592540287 0.0555700371
|
|
5 -0.2624409706 0.2461277222
|
|
|
|
orbital 1 18 8 -11.2535327266 1.0000000000
|
|
1 0.0394231128 0.1967582287
|
|
2 0.0220972962 0.1112788797
|
|
3 -0.0095574419 -0.0477005767
|
|
4 0.0173258131 0.0854793368
|
|
5 0.0006678467 0.0036111221
|
|
|
|
orbital 1 18 9 -11.2535327241 1.0000000000
|
|
1 -0.0088805713 0.0122717859
|
|
2 0.0995233584 -0.1331212360
|
|
3 0.0021529389 -0.0029750764
|
|
4 -0.1084039318 0.1453930168
|
|
5 0.0291032548 -0.0389832086
|
|
|
|
orbital 1 18 10 -10.9104119671 1.0000000000
|
|
1 0.0756037631 -0.0119575608
|
|
2 -0.0756037662 0.0119575616
|
|
3 -0.0000000009 -0.0000000011
|
|
4 -0.0756037617 0.0119575583
|
|
5 0.0000000031 -0.0000000006
|
|
|
|
orbital 1 18 11 -1.2692127166 1.0000000000
|
|
1 0.0377553803 -0.1893902253
|
|
2 -0.0377553908 0.1893902297
|
|
3 -0.0000000144 0.0000000627
|
|
4 -0.0377553561 0.1893902159
|
|
5 0.0000000233 -0.0000000259
|
|
|
|
orbital 1 18 12 -0.7076273135 1.0000000000
|
|
1 0.0085470839 -0.0173867508
|
|
2 0.0295849573 -0.0602443689
|
|
3 -0.0735888175 0.1496967555
|
|
4 -0.0210377881 0.0428574908
|
|
5 0.2516392923 -0.5125058977
|
|
|
|
orbital 1 18 13 -0.7076272744 1.0000000000
|
|
1 -0.0183657415 0.0637200581
|
|
2 -0.0045437292 0.0157358187
|
|
3 0.1581254639 -0.5486172728
|
|
4 -0.0138220856 0.0479844530
|
|
5 0.0461213395 -0.1603036509
|
|
|
|
orbital 1 18 14 -0.5032019894 1.0000000000
|
|
1 0.0564378501 -0.3399601954
|
|
2 -0.0564378710 0.3399601733
|
|
3 -0.0000000194 0.0000000989
|
|
4 -0.0564377910 0.3399601519
|
|
5 0.0000000474 -0.0000000467
|
|
|
|
orbital 1 18 15 -0.2378721769 1.0000000000
|
|
1 -0.0995383190 -0.4933672534
|
|
2 -0.0497897642 -0.2472269207
|
|
3 -0.0210679150 -0.1044243006
|
|
4 -0.0497485683 -0.2461403946
|
|
5 0.0000050294 0.0001327715
|
|
|
|
orbital 1 18 16 -0.2378721692 1.0000000000
|
|
1 -0.0001034132 0.0006191792
|
|
2 0.1398134406 -0.4125185851
|
|
3 -0.0000218901 0.0001310519
|
|
4 -0.1399168484 0.4131377653
|
|
5 -0.0341829854 0.1008950618
|
|
|
|
orbital 1 18 17 2.7101360716 1.0000000000
|
|
1 -0.0093089957 -0.0201868181
|
|
2 -0.0051567298 -0.0111823704
|
|
3 -0.0455282488 -0.0987292839
|
|
4 -0.0041522664 -0.0090044489
|
|
5 0.0028362962 0.0061497814
|
|
|
|
orbital 1 18 18 2.7101360740 1.0000000000
|
|
1 -0.0011117542 0.0008254891
|
|
2 0.0149002133 -0.0110647600
|
|
3 -0.0054373447 0.0040372854
|
|
4 -0.0160119673 0.0118902490
|
|
5 -0.0872865057 0.0648178966
|
|
|
|
orbital 1 18 19 3.0297424155 1.0000000000
|
|
1 -0.0000000000 0.0000000000
|
|
2 0.0000000005 -0.0000000004
|
|
3 -0.0000000000 0.0000000000
|
|
4 -0.0000000005 0.0000000004
|
|
5 0.0000000003 -0.0000000003
|
|
|
|
orbital 1 18 20 6.4002579206 0.0518201526
|
|
1 -0.1656427621 -0.3261392256
|
|
2 0.1656450058 0.3261436433
|
|
3 -0.0000001141 -0.0000002246
|
|
4 0.1656449573 0.3261435477
|
|
5 0.0000000021 0.0000000042
|
|
|
|
orbital 1 18 21 6.4468297550 -0.0142587801
|
|
1 0.0046789788 0.0022107999
|
|
2 0.4158453063 0.1964883309
|
|
3 -0.0003633693 -0.0001716906
|
|
4 -0.4111665044 -0.1942776145
|
|
5 0.0370812042 0.0175209974
|
|
|
|
orbital 1 18 22 6.4468301588 -0.0069450130
|
|
1 0.2184765640 -0.4807833001
|
|
2 0.1073827763 -0.2363084559
|
|
3 -0.0169670257 0.0373379299
|
|
4 0.1110909712 -0.2444686461
|
|
5 -0.0001662665 0.0003658832
|
|
|
|
orbital 1 18 23 9.8449521452 0.0000000000
|
|
1 -0.0008699968 -0.0003389715
|
|
2 0.0152145359 0.0059279046
|
|
3 -0.0296548982 -0.0115542562
|
|
4 -0.0160845329 -0.0062668762
|
|
5 -0.6159557815 -0.2399894313
|
|
|
|
orbital 1 18 24 9.8449526506 0.0000000000
|
|
1 0.0087441361 0.0173105476
|
|
2 0.0047366497 0.0093770228
|
|
3 0.2980544204 0.5900508841
|
|
4 0.0040074831 0.0079335183
|
|
5 -0.0143497670 -0.0284077113
|
|
|
|
orbital 1 18 25 11.3939399398 0.0000000000
|
|
1 -0.0580724055 0.0435822501
|
|
2 0.0580724001 -0.0435822457
|
|
3 0.0000000013 -0.0000000008
|
|
4 0.0580724014 -0.0435822459
|
|
5 -0.0000000004 0.0000000005
|
|
|
|
orbital 1 18 26 11.5153814285 0.0000000000
|
|
1 0.0002006022 0.0003163279
|
|
2 -0.0327295973 -0.0516229789
|
|
3 0.0000031483 0.0000049643
|
|
4 0.0329301992 0.0519393063
|
|
5 0.0005947724 0.0009381083
|
|
|
|
orbital 1 18 27 11.5153814472 0.0000000000
|
|
1 -0.0701208726 0.0097562267
|
|
2 -0.0353817260 0.0049227817
|
|
3 -0.0011001415 0.0001530675
|
|
4 -0.0347391285 0.0048334424
|
|
5 0.0000058191 -0.0000008090
|
|
|
|
orbital 1 18 28 12.8153679752 0.0000000000
|
|
1 -0.0011094346 -0.0010635974
|
|
2 -0.0405486682 -0.0388854158
|
|
3 -0.0004820630 -0.0004621461
|
|
4 0.0394392338 0.0378218183
|
|
5 0.0200662070 0.0192432003
|
|
|
|
orbital 1 18 29 12.8153679803 0.0000000000
|
|
1 0.0623359461 -0.0144309099
|
|
2 0.0298712182 -0.0069154663
|
|
3 0.0270857110 -0.0062704021
|
|
4 0.0324647269 -0.0075154433
|
|
5 0.0006506214 -0.0001505134
|
|
|
|
orbital 1 18 30 15.0673112486 0.0000000000
|
|
1 -0.0942598626 0.0433572463
|
|
2 0.0942596074 -0.0433569135
|
|
3 -0.0000000501 0.0000001808
|
|
4 0.0942601436 -0.0433563123
|
|
5 0.0000001475 0.0000001385
|
|
|
|
orbital 1 18 31 17.2578564167 0.0000000000
|
|
1 0.0680751331 0.0116351973
|
|
2 -0.0680897429 -0.0116213258
|
|
3 -0.0000019388 0.0000068735
|
|
4 -0.0680700225 -0.0116007099
|
|
5 0.0000054211 0.0000051485
|
|
|
|
orbital 1 18 32 18.8701511880 0.0000000000
|
|
1 -0.0756007676 0.0136712010
|
|
2 -0.0622525356 0.0702101706
|
|
3 -0.0333449297 0.0060304267
|
|
4 -0.0133474207 -0.0565232420
|
|
5 0.0124516176 -0.0322709311
|
|
|
|
orbital 1 19 1 -34.3587414284 1.0000000000
|
|
1 -0.0000000014 -0.0000000001
|
|
2 0.0000000003 -0.0000000017
|
|
3 -0.0031487872 -0.0238157717
|
|
4 -0.0000000006 -0.0000000035
|
|
5 -0.0000000004 0.0000000022
|
|
|
|
orbital 1 19 2 -34.3306810819 1.0000000000
|
|
1 -0.0000000000 0.0000000007
|
|
2 0.0034046336 0.0053229983
|
|
3 -0.0000000006 -0.0000000008
|
|
4 -0.0000028169 -0.0000040469
|
|
5 -0.0000000008 0.0000000003
|
|
|
|
orbital 1 19 3 -34.3306810707 1.0000000000
|
|
1 0.0000000028 0.0000000023
|
|
2 0.0000049295 -0.0000001601
|
|
3 -0.0000000002 0.0000000005
|
|
4 0.0063026341 -0.0004502070
|
|
5 -0.0000000000 0.0000000008
|
|
|
|
orbital 1 19 4 -29.1520353313 1.0000000000
|
|
1 0.0000000060 0.0000000045
|
|
2 0.0000000044 -0.0000000258
|
|
3 0.0147850877 0.0546833887
|
|
4 0.0000000034 -0.0000000308
|
|
5 -0.0000000093 0.0000000127
|
|
|
|
orbital 1 19 5 -14.4995872847 1.0000000000
|
|
1 -0.0000000014 -0.0000000004
|
|
2 0.0000000006 -0.0000000061
|
|
3 -0.2495988721 -0.4305103040
|
|
4 0.0000000001 -0.0000000083
|
|
5 0.0000000013 0.0000000070
|
|
|
|
orbital 1 19 6 -13.1640224506 1.0000000000
|
|
1 0.0000000003 0.0000000003
|
|
2 -0.0000000002 0.0000000009
|
|
3 -0.0000000071 -0.0000000131
|
|
4 0.0000000000 0.0000000017
|
|
5 0.2936281205 0.5089928255
|
|
|
|
orbital 1 19 7 -13.1363852225 1.0000000000
|
|
1 -0.0000000014 -0.0000000007
|
|
2 0.0000000005 -0.0000000030
|
|
3 0.1251232737 0.2741851408
|
|
4 0.0000000004 -0.0000000047
|
|
5 0.0000000150 0.0000000352
|
|
|
|
orbital 1 19 8 -11.1367476656 1.0000000000
|
|
1 0.0000000006 0.0000000004
|
|
2 0.0023147227 0.0017528401
|
|
3 0.0000000003 -0.0000000001
|
|
4 -0.1214267735 -0.0974502851
|
|
5 0.0000000003 -0.0000000005
|
|
|
|
orbital 1 19 9 -11.1367476655 1.0000000000
|
|
1 -0.0000000007 -0.0000000002
|
|
2 0.1339898776 0.0792952221
|
|
3 -0.0000000004 0.0000000003
|
|
4 0.0024561077 0.0015485207
|
|
5 -0.0000000002 0.0000000008
|
|
|
|
orbital 1 19 10 -10.6951020071 1.0000000000
|
|
1 0.0000000002 0.0000000003
|
|
2 -0.0000000001 0.0000000006
|
|
3 0.0514418122 0.0283160328
|
|
4 0.0000000000 0.0000000011
|
|
5 0.0000000010 0.0000000003
|
|
|
|
orbital 1 19 11 -0.9415173574 1.0000000000
|
|
1 0.0000000028 0.0000000043
|
|
2 -0.0000000021 0.0000000084
|
|
3 0.1700574234 0.3065696888
|
|
4 -0.0000000015 0.0000000142
|
|
5 0.0000000020 -0.0000000049
|
|
|
|
orbital 1 19 12 0.1656678025 1.0000000000
|
|
1 -0.0000000009 -0.0000000007
|
|
2 0.0000109446 0.0000168109
|
|
3 -0.0000000002 0.0000000004
|
|
4 -0.0904393003 -0.1370550603
|
|
5 0.0000000002 0.0000000015
|
|
|
|
orbital 1 19 13 0.1656678218 1.0000000000
|
|
1 -0.0000000011 -0.0000000003
|
|
2 -0.1323732430 -0.0971631705
|
|
3 -0.0000000001 0.0000000006
|
|
4 -0.0000162466 -0.0000117716
|
|
5 0.0000000006 0.0000000010
|
|
|
|
orbital 1 19 14 1.0970857975 1.0000000000
|
|
1 0.0000000025 0.0000000001
|
|
2 0.0025702644 0.0025081061
|
|
3 0.0000000011 -0.0000000006
|
|
4 0.5064661103 0.2348314175
|
|
5 -0.0000000029 -0.0000000020
|
|
|
|
orbital 1 19 15 1.0970857978 1.0000000000
|
|
1 0.0000000013 0.0000000003
|
|
2 -0.0695839251 -0.5539059338
|
|
3 0.0000000003 -0.0000000018
|
|
4 0.0016070708 0.0032115715
|
|
5 -0.0000000013 -0.0000000029
|
|
|
|
orbital 1 19 16 1.1931441095 1.0000000000
|
|
1 0.0000000023 -0.0000000059
|
|
2 0.0000000104 -0.0000000072
|
|
3 -0.0478255196 0.1427361189
|
|
4 0.0000000136 -0.0000000118
|
|
5 -0.0000000090 0.0000000092
|
|
|
|
orbital 1 19 17 1.4730702044 1.0000000000
|
|
1 0.0000000000 0.0000000000
|
|
2 0.0000000003 -0.0000000006
|
|
3 -0.0000000000 0.0000000000
|
|
4 -0.0000000003 0.0000000006
|
|
5 -0.0149186161 0.0252233007
|
|
|
|
orbital 1 19 18 2.6212436956 1.0000000000
|
|
1 0.0000000001 0.0000000000
|
|
2 0.0000347256 0.0000166289
|
|
3 0.0000000001 0.0000000000
|
|
4 0.0998333636 0.0474376535
|
|
5 -0.0000000001 -0.0000000001
|
|
|
|
orbital 1 19 19 2.6212437031 1.0000000000
|
|
1 0.0000000001 0.0000000000
|
|
2 0.1101334416 0.0093625066
|
|
3 0.0000000001 0.0000000000
|
|
4 -0.0000383730 -0.0000031458
|
|
5 0.0000000001 0.0000000000
|
|
|
|
orbital 1 19 20 4.5028169370 1.1226876580
|
|
1 -0.6519874479 0.7225442782
|
|
2 -0.0000000004 0.0000000005
|
|
3 -0.0000000000 0.0000000000
|
|
4 -0.0000000004 0.0000000005
|
|
5 0.0000000000 -0.0000000000
|
|
|
|
orbital 1 19 21 5.9520647349 0.0443815147
|
|
1 0.0000000008 0.0000000005
|
|
2 -0.6453492370 -0.4008995092
|
|
3 -0.0000000004 -0.0000000003
|
|
4 -0.0002274934 -0.0001432239
|
|
5 -0.0000000036 -0.0000000022
|
|
|
|
orbital 1 19 22 5.9520647467 0.0438953764
|
|
1 -0.0000000009 0.0000000001
|
|
2 -0.0002679410 0.0000217693
|
|
3 0.0000000005 -0.0000000000
|
|
4 0.7575951040 -0.0569711606
|
|
5 -0.0000000043 0.0000000003
|
|
|
|
orbital 1 19 23 6.6618951141 0.0000000000
|
|
1 -0.0000000000 0.0000000000
|
|
2 0.0000000015 -0.0000000042
|
|
3 -0.0000000021 0.0000000058
|
|
4 -0.0000000015 0.0000000042
|
|
5 -0.2664517563 0.7175365884
|
|
|
|
orbital 1 19 24 8.5354960828 0.0000000000
|
|
1 -0.0000000000 -0.0000000000
|
|
2 0.0000000002 -0.0000000009
|
|
3 -0.1454022572 0.6334658359
|
|
4 0.0000000002 -0.0000000009
|
|
5 0.0000000016 -0.0000000071
|
|
|
|
orbital 1 19 25 10.4342918742 0.0000000000
|
|
1 -0.0000000000 0.0000000000
|
|
2 0.0000000000 -0.0000000000
|
|
3 -0.0000000000 -0.0000000002
|
|
4 -0.0000000000 0.0000000000
|
|
5 0.0161171221 0.1026230152
|
|
|
|
orbital 1 19 26 10.5105018391 0.0000000000
|
|
1 -0.0000000000 -0.0000000000
|
|
2 -0.0000000000 -0.0000000001
|
|
3 0.0561105354 0.1264313213
|
|
4 -0.0000000000 -0.0000000000
|
|
5 -0.0000000001 -0.0000000002
|
|
|
|
orbital 1 19 27 11.7588700786 0.0000000000
|
|
1 -0.0392458902 -0.0400144364
|
|
2 0.0000000000 0.0000000001
|
|
3 0.0000000000 0.0000000000
|
|
4 0.0000000001 0.0000000000
|
|
5 -0.0000000000 -0.0000000000
|
|
|
|
orbital 1 19 28 12.4330308885 0.0000000000
|
|
1 0.0000000010 0.0000000004
|
|
2 -0.0000000001 0.0000000002
|
|
3 0.0517081300 0.1346063423
|
|
4 -0.0000000005 -0.0000000002
|
|
5 0.0000000010 0.0000000017
|
|
|
|
orbital 1 19 29 12.8698676639 0.0000000000
|
|
1 0.0000000002 -0.0000000001
|
|
2 -0.0258460170 -0.0424753459
|
|
3 0.0000000002 0.0000000000
|
|
4 0.0002684973 0.0011280754
|
|
5 0.0000000002 -0.0000000000
|
|
|
|
orbital 1 19 30 12.8698676641 0.0000000000
|
|
1 0.0000000000 0.0000000002
|
|
2 -0.0005645458 -0.0010128837
|
|
3 0.0000000003 0.0000000004
|
|
4 -0.0096588191 -0.0487737515
|
|
5 -0.0000000001 0.0000000003
|
|
|
|
orbital 1 19 31 17.9005215905 0.0000000000
|
|
1 -0.0000006717 -0.0000008394
|
|
2 -0.0000003322 -0.0000002318
|
|
3 -0.0472213913 0.0926935806
|
|
4 0.0000008407 0.0000028318
|
|
5 -0.0000003375 0.0000007632
|
|
|
|
orbital 1 19 32 19.2345482199 0.0000000000
|
|
1 0.0000002378 -0.0000000090
|
|
2 -0.0000046808 -0.0000029732
|
|
3 0.0433870954 0.0117043113
|
|
4 -0.0000007186 -0.0000002125
|
|
5 0.0000015812 -0.0000002822
|
|
|
|
orbital 1 20 1 -34.3571223851 1.0000000000
|
|
1 -0.0000000008 -0.0000000072
|
|
2 -0.0000000140 0.0000000002
|
|
3 -0.0031118933 0.0044719204
|
|
4 -0.0180393862 0.0259234949
|
|
5 -0.0051730216 0.0074338608
|
|
|
|
orbital 1 20 2 -34.3566437887 1.0000000000
|
|
1 -0.0000000057 0.0000000030
|
|
2 -0.0000000052 0.0000000043
|
|
3 0.0320540218 0.0243446825
|
|
4 0.0000005124 0.0000003897
|
|
5 -0.0177578039 -0.0134868605
|
|
|
|
orbital 1 20 3 -34.3294817179 1.0000000000
|
|
1 0.0056307879 0.0008724014
|
|
2 -0.0056307842 -0.0008724221
|
|
3 0.0000000052 -0.0000000089
|
|
4 0.0000000055 0.0000000213
|
|
5 -0.0000000061 -0.0000000105
|
|
|
|
orbital 1 20 4 -29.1330551689 1.0000000000
|
|
1 -0.0000000830 0.0000000830
|
|
2 0.0000000992 -0.0000000648
|
|
3 0.0118182367 -0.0034445289
|
|
4 -0.3265001777 0.0951620531
|
|
5 0.0196420496 -0.0057248762
|
|
|
|
orbital 1 20 5 -14.1262943572 1.0000000000
|
|
1 0.0000000062 0.0000000007
|
|
2 -0.0000000116 0.0000000033
|
|
3 -0.1761377686 0.0902831184
|
|
4 0.0584674494 -0.0299687036
|
|
5 -0.2927421358 0.1500511446
|
|
|
|
orbital 1 20 6 -13.4204398416 1.0000000000
|
|
1 -0.0000000078 0.0000000009
|
|
2 0.0000000139 0.0000000073
|
|
3 -0.3074223178 0.1232972341
|
|
4 -0.0000000085 -0.0000000189
|
|
5 0.1703126500 -0.0683069361
|
|
|
|
orbital 1 20 7 -13.1375435547 1.0000000000
|
|
1 0.0000000081 -0.0000000029
|
|
2 -0.0000000097 -0.0000000062
|
|
3 0.2164944964 0.0906285719
|
|
4 0.0496377932 0.0207793078
|
|
5 0.3598152944 0.1506253134
|
|
|
|
orbital 1 20 8 -11.0855568356 1.0000000000
|
|
1 -0.0749435156 -0.0239668913
|
|
2 0.0749435175 0.0239668942
|
|
3 -0.0000000055 -0.0000000053
|
|
4 0.0000000112 -0.0000000017
|
|
5 -0.0000000068 0.0000000023
|
|
|
|
orbital 1 20 9 -10.8760294549 1.0000000000
|
|
1 -0.0000000002 -0.0000000007
|
|
2 0.0000000030 0.0000000018
|
|
3 -0.0601591514 0.0152935537
|
|
4 -0.0000000005 -0.0000000053
|
|
5 0.0333283093 -0.0084726625
|
|
|
|
orbital 1 20 10 -10.7875709955 1.0000000000
|
|
1 -0.0000000005 0.0000000010
|
|
2 -0.0000000045 -0.0000000009
|
|
3 -0.0025526125 0.0003645849
|
|
4 0.1095339043 -0.0156446602
|
|
5 -0.0042424702 0.0006059424
|
|
|
|
orbital 1 20 11 -1.2170847853 1.0000000000
|
|
1 0.0000000064 -0.0000000099
|
|
2 -0.0000000105 0.0000000139
|
|
3 0.0798107259 -0.0734223579
|
|
4 -0.2578441918 0.2372053373
|
|
5 0.1326460732 -0.1220285563
|
|
|
|
orbital 1 20 12 -0.7514101224 1.0000000000
|
|
1 -0.0000000002 0.0000000145
|
|
2 0.0000000016 -0.0000000136
|
|
3 0.0332097463 -0.0746983850
|
|
4 0.2219378976 -0.4992029828
|
|
5 0.0551959341 -0.1241517023
|
|
|
|
orbital 1 20 13 -0.7348225188 1.0000000000
|
|
1 0.0000000133 -0.0000000187
|
|
2 -0.0000000137 0.0000000154
|
|
3 0.0119617182 -0.4898890256
|
|
4 0.0000000541 -0.0000013144
|
|
5 -0.0066268283 0.2713991350
|
|
|
|
orbital 1 20 14 0.1984516965 1.0000000000
|
|
1 -0.0888818109 0.3085838072
|
|
2 0.0888818144 -0.3085838322
|
|
3 0.0000000047 0.0000000032
|
|
4 -0.0000000142 0.0000000054
|
|
5 0.0000000086 -0.0000000034
|
|
|
|
orbital 1 20 15 0.6079843704 1.0000000000
|
|
1 -0.0065595745 -0.4172318005
|
|
2 -0.0065595734 -0.4172318444
|
|
3 0.0000000079 0.0000000057
|
|
4 -0.0000000192 0.0000000038
|
|
5 0.0000000138 -0.0000000041
|
|
|
|
orbital 1 20 16 1.5108721547 1.0000000000
|
|
1 0.0000000189 -0.0000000081
|
|
2 -0.0000000233 -0.0000000049
|
|
3 -0.0386408042 0.0077476880
|
|
4 -0.0030896868 0.0006195395
|
|
5 -0.0642213279 0.0128767034
|
|
|
|
orbital 1 20 17 1.7093498882 1.0000000000
|
|
1 0.1329272358 -0.2230906266
|
|
2 -0.1329272430 0.2230906387
|
|
3 -0.0000000006 0.0000000010
|
|
4 -0.0000000000 0.0000000001
|
|
5 0.0000000005 -0.0000000008
|
|
|
|
orbital 1 20 18 1.8370285399 1.0000000000
|
|
1 -0.0000000007 -0.0000000019
|
|
2 0.0000000007 0.0000000018
|
|
3 -0.0540813648 -0.1407796955
|
|
4 -0.0000000003 -0.0000000007
|
|
5 0.0299611972 0.0779922665
|
|
|
|
orbital 1 20 19 2.8843438507 1.0000000000
|
|
1 0.0000000006 0.0000000001
|
|
2 -0.0000000001 -0.0000000000
|
|
3 -0.0538596453 -0.0048464507
|
|
4 0.0000000006 0.0000000001
|
|
5 0.0298383653 0.0026849446
|
|
|
|
orbital 1 20 20 5.8996117536 0.2326406181
|
|
1 -0.4872191306 0.2539339139
|
|
2 0.4872221174 -0.2539354706
|
|
3 0.0000000007 -0.0000000004
|
|
4 -0.0000000019 0.0000000010
|
|
5 0.0000000012 -0.0000000006
|
|
|
|
orbital 1 20 21 5.9904359148 0.0257788638
|
|
1 0.4358681395 -0.3334450509
|
|
2 0.4358654431 -0.3334429881
|
|
3 0.0000000006 -0.0000000004
|
|
4 0.0000000018 -0.0000000014
|
|
5 0.0000000010 -0.0000000008
|
|
|
|
orbital 1 20 22 6.2730969925 0.0035071186
|
|
1 -0.0000000015 -0.0000000038
|
|
2 -0.0000000000 -0.0000000001
|
|
3 -0.0080208730 -0.0203000321
|
|
4 0.2176899090 0.5509515188
|
|
5 -0.0133307456 -0.0337387919
|
|
|
|
orbital 1 20 23 7.5215231179 0.0000000000
|
|
1 -0.0000000000 -0.0000000001
|
|
2 -0.0000000003 -0.0000000025
|
|
3 0.0523644413 0.3835933320
|
|
4 0.0011597641 0.0084957991
|
|
5 0.0870300646 0.6375347781
|
|
|
|
orbital 1 20 24 9.8885520058 0.0000000000
|
|
1 0.0000000000 0.0000000000
|
|
2 0.0000000002 -0.0000000000
|
|
3 -0.5365051111 0.0925682285
|
|
4 0.0000000016 -0.0000000003
|
|
5 0.2972249330 -0.0512829886
|
|
|
|
orbital 1 20 25 11.1923222703 0.0000000000
|
|
1 0.0000000000 -0.0000000000
|
|
2 -0.0000000000 0.0000000000
|
|
3 -0.0130078284 0.0400324656
|
|
4 -0.0408992100 0.1258700664
|
|
5 -0.0216190992 0.0665342302
|
|
|
|
orbital 1 20 26 12.0567037888 0.0000000000
|
|
1 -0.0000000000 -0.0000000004
|
|
2 0.0000000001 0.0000000005
|
|
3 -0.0049845502 0.0314197807
|
|
4 0.0165857920 -0.1045474362
|
|
5 -0.0082843567 0.0522198929
|
|
|
|
orbital 1 20 27 12.1325741497 0.0000000000
|
|
1 0.0000000000 -0.0000000001
|
|
2 0.0000000000 0.0000000000
|
|
3 -0.0270910535 0.0804914774
|
|
4 -0.0000000004 0.0000000015
|
|
5 0.0150085040 -0.0445924577
|
|
|
|
orbital 1 20 28 12.8042930802 0.0000000000
|
|
1 0.0015193419 -0.0269146231
|
|
2 -0.0015193419 0.0269146243
|
|
3 -0.0000000001 0.0000000001
|
|
4 0.0000000001 0.0000000001
|
|
5 0.0000000002 0.0000000002
|
|
|
|
orbital 1 20 29 12.9354083874 0.0000000000
|
|
1 0.0020059798 -0.0091904009
|
|
2 0.0020059765 -0.0091903862
|
|
3 -0.0000000000 0.0000000001
|
|
4 -0.0000000001 -0.0000000000
|
|
5 -0.0000000001 -0.0000000000
|
|
|
|
orbital 1 20 30 14.0837602398 0.0000000000
|
|
1 -0.0000000175 -0.0000000222
|
|
2 0.0000000057 0.0000000134
|
|
3 0.0091564184 0.0081649861
|
|
4 -0.1137336384 -0.1014190090
|
|
5 0.0152180136 0.0135702723
|
|
|
|
orbital 1 20 31 17.8580243839 0.0000000000
|
|
1 -0.0000051786 -0.0000063292
|
|
2 0.0000045644 0.0000059859
|
|
3 -0.0216944215 0.0687992502
|
|
4 0.0000018963 0.0000013326
|
|
5 0.0120206858 -0.0381128993
|
|
|
|
orbital 1 20 32 17.9890103055 0.0000000000
|
|
1 -0.0000113102 0.0000179532
|
|
2 0.0000119864 -0.0000143688
|
|
3 -0.0195071148 0.0183243450
|
|
4 -0.0507785377 0.0477070714
|
|
5 -0.0324188504 0.0304626594
|
|
|
|
orbital 1 21 1 -34.3571223848 1.0000000000
|
|
1 -0.0000000004 -0.0000000023
|
|
2 0.0000000006 0.0000000007
|
|
3 -0.0026542334 0.0047578411
|
|
4 0.0153864123 -0.0275808824
|
|
5 -0.0044122349 0.0079091403
|
|
|
|
orbital 1 21 2 -34.3566437890 1.0000000000
|
|
1 0.0000000005 0.0000000013
|
|
2 -0.0000000009 -0.0000000002
|
|
3 0.0079016755 -0.0394675478
|
|
4 -0.0000001246 0.0000006283
|
|
5 -0.0043774971 0.0218648700
|
|
|
|
orbital 1 21 3 -34.3294817180 1.0000000000
|
|
1 -0.0056967238 -0.0001188109
|
|
2 -0.0056967242 -0.0001188123
|
|
3 0.0000000005 -0.0000000001
|
|
4 0.0000000001 0.0000000005
|
|
5 -0.0000000000 0.0000000003
|
|
|
|
orbital 1 21 4 -29.1330551698 1.0000000000
|
|
1 -0.0000000025 -0.0000000144
|
|
2 -0.0000000150 0.0000000028
|
|
3 -0.0100476489 0.0071120181
|
|
4 -0.2775841315 0.1964822383
|
|
5 -0.0166992452 0.0118202200
|
|
|
|
orbital 1 21 5 -14.1262943572 1.0000000000
|
|
1 -0.0000000004 -0.0000000004
|
|
2 -0.0000000006 0.0000000007
|
|
3 0.0140025117 -0.1974322325
|
|
4 0.0046480139 -0.0655359512
|
|
5 0.0232722672 -0.3281336701
|
|
|
|
orbital 1 21 6 -13.4204398416 1.0000000000
|
|
1 -0.0000000000 0.0000000004
|
|
2 0.0000000002 -0.0000000001
|
|
3 -0.3281790955 0.0448237575
|
|
4 0.0000000028 0.0000000001
|
|
5 0.1818119453 -0.0248324606
|
|
|
|
orbital 1 21 7 -13.1375435547 1.0000000000
|
|
1 -0.0000000001 -0.0000000005
|
|
2 -0.0000000002 0.0000000003
|
|
3 0.2204913282 0.0804175537
|
|
4 -0.0505541681 -0.0184381067
|
|
5 0.3664580736 0.1336545147
|
|
|
|
orbital 1 21 8 -11.0855568356 1.0000000000
|
|
1 -0.0417110263 0.0667168064
|
|
2 -0.0417110263 0.0667168076
|
|
3 0.0000000001 0.0000000004
|
|
4 -0.0000000008 -0.0000000009
|
|
5 0.0000000003 -0.0000000009
|
|
|
|
orbital 1 21 9 -10.8760294549 1.0000000000
|
|
1 0.0000000003 0.0000000006
|
|
2 0.0000000000 -0.0000000004
|
|
3 -0.0167305255 -0.0597754624
|
|
4 0.0000000001 -0.0000000016
|
|
5 0.0092687485 0.0331157419
|
|
|
|
orbital 1 21 10 -10.7875709955 1.0000000000
|
|
1 -0.0000000001 -0.0000000001
|
|
2 0.0000000000 -0.0000000001
|
|
3 0.0015051880 0.0020936072
|
|
4 0.0645882562 0.0898375702
|
|
5 0.0025016348 0.0034795924
|
|
|
|
orbital 1 21 11 -1.2170847849 1.0000000000
|
|
1 -0.0000000008 -0.0000000014
|
|
2 0.0000000000 0.0000000005
|
|
3 -0.0737069681 -0.0795479763
|
|
4 -0.2381247938 -0.2569953144
|
|
5 -0.1225015728 -0.1322093773
|
|
|
|
orbital 1 21 12 -0.7514101231 1.0000000000
|
|
1 0.0000000021 0.0000000037
|
|
2 0.0000000001 -0.0000000015
|
|
3 -0.0326394370 -0.0749493637
|
|
4 0.2181265312 0.5008800988
|
|
5 -0.0542480276 -0.1245687827
|
|
|
|
orbital 1 21 13 -0.7348225188 1.0000000000
|
|
1 0.0000000003 0.0000000002
|
|
2 0.0000000002 0.0000000001
|
|
3 -0.1422321194 -0.4689396051
|
|
4 0.0000003764 0.0000012392
|
|
5 0.0787967760 0.2597931420
|
|
|
|
orbital 1 21 14 0.1984516963 1.0000000000
|
|
1 -0.2573945160 0.1920208212
|
|
2 -0.2573945283 0.1920208311
|
|
3 -0.0000000002 0.0000000003
|
|
4 -0.0000000003 -0.0000000009
|
|
5 0.0000000002 -0.0000000007
|
|
|
|
orbital 1 21 15 0.6079843709 1.0000000000
|
|
1 -0.2429355197 0.3392753225
|
|
2 0.2429355341 -0.3392753420
|
|
3 0.0000000001 -0.0000000005
|
|
4 0.0000000009 -0.0000000000
|
|
5 -0.0000000000 0.0000000006
|
|
|
|
orbital 1 21 16 1.5108721506 1.0000000000
|
|
1 0.0000000010 0.0000000005
|
|
2 -0.0000000009 -0.0000000026
|
|
3 -0.0180956508 -0.0350098216
|
|
4 0.0014469222 0.0027993704
|
|
5 -0.0300750899 -0.0581865497
|
|
|
|
orbital 1 21 17 1.7093498879 1.0000000000
|
|
1 0.0485906999 -0.2551039428
|
|
2 0.0485907025 -0.2551039566
|
|
3 0.0000000002 -0.0000000012
|
|
4 -0.0000000000 0.0000000001
|
|
5 -0.0000000002 0.0000000009
|
|
|
|
orbital 1 21 18 1.8370285443 1.0000000000
|
|
1 0.0000000013 0.0000000016
|
|
2 0.0000000012 0.0000000015
|
|
3 -0.0933463439 -0.1184490471
|
|
4 0.0000000003 0.0000000004
|
|
5 0.0517140835 0.0656210373
|
|
|
|
orbital 1 21 19 2.8843438508 1.0000000000
|
|
1 0.0000000005 0.0000000004
|
|
2 0.0000000001 0.0000000001
|
|
3 0.0417803480 0.0343329585
|
|
4 0.0000000005 0.0000000004
|
|
5 -0.0231464068 -0.0190205363
|
|
|
|
orbital 1 21 20 5.8996117509 0.2052693453
|
|
1 0.2686133258 -0.4792825836
|
|
2 0.2686149725 -0.4792855218
|
|
3 0.0000000004 -0.0000000007
|
|
4 0.0000000011 -0.0000000019
|
|
5 0.0000000007 -0.0000000012
|
|
|
|
orbital 1 21 21 5.9904359175 0.0000000000
|
|
1 0.0078698604 0.5487300815
|
|
2 -0.0078698117 -0.5487266870
|
|
3 -0.0000000000 -0.0000000007
|
|
4 0.0000000000 0.0000000023
|
|
5 -0.0000000000 -0.0000000012
|
|
|
|
orbital 1 21 22 6.2730969928 0.0000000000
|
|
1 0.0000000027 -0.0000000032
|
|
2 -0.0000000001 0.0000000001
|
|
3 -0.0140845136 0.0166748964
|
|
4 -0.3822597030 0.4525637988
|
|
5 -0.0234085566 0.0277137905
|
|
|
|
orbital 1 21 23 7.5215231177 0.0000000000
|
|
1 -0.0000000000 0.0000000001
|
|
2 0.0000000009 -0.0000000024
|
|
3 -0.1359214968 0.3625068631
|
|
4 0.0030103795 -0.0080287759
|
|
5 -0.2259024704 0.6024889206
|
|
|
|
orbital 1 21 24 9.8885520059 0.0000000000
|
|
1 -0.0000000000 -0.0000000000
|
|
2 -0.0000000000 -0.0000000002
|
|
3 0.1364105482 0.5270661946
|
|
4 -0.0000000000 -0.0000000001
|
|
5 -0.0755717237 -0.2919957539
|
|
|
|
orbital 1 21 25 11.1923222703 0.0000000000
|
|
1 0.0000000000 0.0000000001
|
|
2 0.0000000000 0.0000000000
|
|
3 0.0102791837 0.0408183819
|
|
4 -0.0323198063 -0.1283411436
|
|
5 0.0170840732 0.0678404279
|
|
|
|
orbital 1 21 26 12.0567037885 0.0000000000
|
|
1 -0.0000000000 0.0000000000
|
|
2 0.0000000000 0.0000000001
|
|
3 0.0082258559 0.0307308256
|
|
4 0.0273710423 0.1022549801
|
|
5 0.0136714294 0.0510748448
|
|
|
|
orbital 1 21 27 12.1325741500 0.0000000000
|
|
1 0.0000000000 0.0000000000
|
|
2 0.0000000000 -0.0000000000
|
|
3 -0.0545101061 -0.0651264266
|
|
4 0.0000000008 0.0000000010
|
|
5 0.0301987201 0.0360801853
|
|
|
|
orbital 1 21 28 12.8042930802 0.0000000000
|
|
1 0.0269538521 -0.0004418091
|
|
2 0.0269538530 -0.0004418091
|
|
3 0.0000000000 -0.0000000000
|
|
4 -0.0000000000 -0.0000000000
|
|
5 -0.0000000000 0.0000000000
|
|
|
|
orbital 1 21 29 12.9354083874 0.0000000000
|
|
1 -0.0087161518 0.0035378132
|
|
2 0.0087161378 -0.0035378075
|
|
3 -0.0000000001 0.0000000001
|
|
4 0.0000000000 -0.0000000000
|
|
5 -0.0000000000 -0.0000000001
|
|
|
|
orbital 1 21 30 14.0837602383 0.0000000000
|
|
1 0.0000000000 0.0000000011
|
|
2 -0.0000000023 0.0000000011
|
|
3 -0.0079353023 -0.0093561603
|
|
4 -0.0985660695 -0.1162148333
|
|
5 -0.0131885318 -0.0155500074
|
|
|
|
orbital 1 21 31 17.8580242842 0.0000000000
|
|
1 -0.0000002501 0.0000000570
|
|
2 -0.0000004339 0.0000001219
|
|
3 -0.0171020409 -0.0700817943
|
|
4 0.0000001833 0.0000001898
|
|
5 0.0094746185 0.0388252621
|
|
|
|
orbital 1 21 32 17.9890096837 0.0000000000
|
|
1 -0.0000013752 -0.0000009141
|
|
2 -0.0000018001 -0.0000008439
|
|
3 0.0186045303 0.0192464712
|
|
4 -0.0484282265 -0.0500968631
|
|
5 0.0309191271 0.0319857485
|
|
|
|
orbital 1 22 1 -34.3571223906 1.0000000000
|
|
1 0.0000000086 0.0000000126
|
|
2 -0.0273648814 0.0157673866
|
|
3 -0.0047201761 0.0027197176
|
|
4 -0.0000000024 -0.0000000112
|
|
5 0.0078474201 -0.0045216181
|
|
|
|
orbital 1 22 2 -34.3566437941 1.0000000000
|
|
1 -0.0000000007 -0.0000000074
|
|
2 -0.0000009953 0.0000000413
|
|
3 -0.0401791816 0.0024002972
|
|
4 -0.0000000026 0.0000000190
|
|
5 -0.0222589771 0.0013297493
|
|
|
|
orbital 1 22 3 -34.3294817068 1.0000000000
|
|
1 -0.0041653728 -0.0038880127
|
|
2 -0.0000000075 0.0000000007
|
|
3 0.0000000024 0.0000000003
|
|
4 0.0041653702 0.0038880077
|
|
5 -0.0000000043 -0.0000000041
|
|
|
|
orbital 1 22 4 -29.1330551688 1.0000000000
|
|
1 0.0000000498 0.0000001484
|
|
2 0.3223011794 -0.1085366869
|
|
3 -0.0116662616 0.0039286724
|
|
4 -0.0000000841 -0.0000001285
|
|
5 0.0193894642 -0.0065294882
|
|
|
|
orbital 1 22 5 -14.1262943674 1.0000000000
|
|
1 -0.0000000034 0.0000000246
|
|
2 -0.0564783166 0.0335674672
|
|
3 0.1701452142 -0.1011244224
|
|
4 0.0000000300 -0.0000000317
|
|
5 -0.2827825539 0.1680694406
|
|
|
|
orbital 1 22 6 -13.4204398376 1.0000000000
|
|
1 0.0000000052 -0.0000000044
|
|
2 0.0000000693 0.0000000181
|
|
3 -0.3198804804 0.0859486425
|
|
4 -0.0000000169 -0.0000000215
|
|
5 -0.1772144901 0.0476157332
|
|
|
|
orbital 1 22 7 -13.1375435620 1.0000000000
|
|
1 0.0000000021 0.0000000031
|
|
2 0.0315488528 -0.0435930876
|
|
3 0.1376000344 -0.1901305990
|
|
4 0.0000000183 0.0000000016
|
|
5 -0.2286921785 0.3159983065
|
|
|
|
orbital 1 22 8 -11.0855568357 1.0000000000
|
|
1 0.0741395118 0.0263490987
|
|
2 -0.0000000240 0.0000000095
|
|
3 -0.0000000118 -0.0000000087
|
|
4 -0.0741395050 -0.0263490951
|
|
5 -0.0000000019 -0.0000000047
|
|
|
|
orbital 1 22 9 -10.8760294540 1.0000000000
|
|
1 -0.0000000002 -0.0000000067
|
|
2 -0.0000000117 -0.0000000435
|
|
3 0.0484242351 0.0388343981
|
|
4 -0.0000000045 0.0000000193
|
|
5 0.0268271311 0.0215143442
|
|
|
|
orbital 1 22 10 -10.7875709957 1.0000000000
|
|
1 -0.0000000003 -0.0000000126
|
|
2 0.0666737756 -0.0883009098
|
|
3 -0.0015537621 0.0020577826
|
|
4 -0.0000000156 0.0000000329
|
|
5 0.0025824206 -0.0034200738
|
|
|
|
orbital 1 22 11 -1.2170847568 1.0000000000
|
|
1 0.0000000028 -0.0000000147
|
|
2 0.3070123527 -0.1688000789
|
|
3 -0.0950297669 0.0522488351
|
|
4 -0.0000000115 0.0000000098
|
|
5 0.1579402426 -0.0868379311
|
|
|
|
orbital 1 22 12 -0.7514101096 1.0000000000
|
|
1 -0.0000000110 0.0000000180
|
|
2 0.4025200020 -0.3693746063
|
|
3 0.0602314967 -0.0552717802
|
|
4 0.0000000599 -0.0000000631
|
|
5 -0.1001065009 0.0918632888
|
|
|
|
orbital 1 22 13 -0.7348225004 1.0000000000
|
|
1 -0.0000000016 0.0000000029
|
|
2 -0.0000001760 -0.0000008038
|
|
3 -0.1000535029 -0.4797119574
|
|
4 0.0000000073 0.0000000131
|
|
5 -0.0554298094 -0.2657612036
|
|
|
|
orbital 1 22 14 0.1984516857 1.0000000000
|
|
1 -0.2355043849 0.2183154032
|
|
2 0.0000000359 0.0000000180
|
|
3 0.0000000023 0.0000000210
|
|
4 0.2355044003 -0.2183154339
|
|
5 -0.0000000006 0.0000000121
|
|
|
|
orbital 1 22 15 0.6079843704 1.0000000000
|
|
1 0.4171623185 -0.0100503457
|
|
2 -0.0000000241 0.0000000506
|
|
3 -0.0000000266 -0.0000000009
|
|
4 0.4171623659 -0.0100503871
|
|
5 -0.0000000167 -0.0000000020
|
|
|
|
orbital 1 22 16 1.5108721579 1.0000000000
|
|
1 -0.0000000138 0.0000000357
|
|
2 -0.0029939196 0.0009835404
|
|
3 -0.0374410393 0.0123007560
|
|
4 0.0000000480 0.0000000268
|
|
5 0.0622272040 -0.0204441488
|
|
|
|
orbital 1 22 17 1.7093498715 1.0000000000
|
|
1 0.2444314236 0.0877060905
|
|
2 -0.0000000001 -0.0000000000
|
|
3 -0.0000000011 -0.0000000004
|
|
4 -0.2444314366 -0.0877060951
|
|
5 -0.0000000009 -0.0000000003
|
|
|
|
orbital 1 22 18 1.8370285404 1.0000000000
|
|
1 0.0000000013 -0.0000000015
|
|
2 0.0000000003 -0.0000000004
|
|
3 0.0979503572 -0.1146710261
|
|
4 -0.0000000012 0.0000000014
|
|
5 0.0542647180 -0.0635280062
|
|
|
|
orbital 1 22 19 2.8843438509 1.0000000000
|
|
1 0.0000000001 -0.0000000006
|
|
2 0.0000000001 -0.0000000007
|
|
3 -0.0046590818 0.0538761769
|
|
4 -0.0000000000 0.0000000001
|
|
5 -0.0025811419 0.0298475243
|
|
|
|
orbital 1 22 20 5.8996117597 0.2326406157
|
|
1 -0.3091886710 0.4541666219
|
|
2 -0.0000000012 0.0000000018
|
|
3 0.0000000004 -0.0000000007
|
|
4 0.3091905248 -0.4541693448
|
|
5 -0.0000000008 0.0000000012
|
|
|
|
orbital 1 22 21 5.9904359210 0.0257788632
|
|
1 -0.5371779869 -0.1122782550
|
|
2 -0.0000000023 -0.0000000005
|
|
3 -0.0000000007 -0.0000000001
|
|
4 -0.5371747368 -0.1122775757
|
|
5 0.0000000012 0.0000000003
|
|
|
|
orbital 1 22 22 6.2730969791 0.0035071194
|
|
1 0.0000000041 -0.0000000007
|
|
2 -0.5826842183 0.1068436904
|
|
3 0.0214692356 -0.0039366990
|
|
4 0.0000000001 -0.0000000000
|
|
5 -0.0356820162 0.0065428206
|
|
|
|
orbital 1 22 23 7.5215231456 0.0000000000
|
|
1 -0.0000000001 0.0000000001
|
|
2 0.0068841812 -0.0051119162
|
|
3 0.3108272966 -0.2308078566
|
|
4 -0.0000000021 0.0000000015
|
|
5 -0.5165971317 0.3836042650
|
|
|
|
orbital 1 22 24 9.8885519625 0.0000000000
|
|
1 -0.0000000000 0.0000000000
|
|
2 0.0000000007 -0.0000000015
|
|
3 -0.2193729696 0.4982791538
|
|
4 0.0000000001 -0.0000000002
|
|
5 -0.1215330712 0.2760476643
|
|
|
|
orbital 1 22 25 11.1923222698 0.0000000000
|
|
1 0.0000000001 -0.0000000000
|
|
2 -0.1160836097 0.0635658277
|
|
3 -0.0369199224 0.0202168543
|
|
4 -0.0000000000 0.0000000000
|
|
5 0.0613611627 -0.0336005496
|
|
|
|
orbital 1 22 26 12.0567037889 0.0000000000
|
|
1 0.0000000003 -0.0000000002
|
|
2 0.0836196737 -0.0649076659
|
|
3 -0.0251303315 0.0195067870
|
|
4 -0.0000000002 0.0000000001
|
|
5 0.0417667852 -0.0324204160
|
|
|
|
orbital 1 22 27 12.1325741497 0.0000000000
|
|
1 -0.0000000000 0.0000000000
|
|
2 -0.0000000013 0.0000000009
|
|
3 -0.0707527682 0.0469771104
|
|
4 -0.0000000000 0.0000000000
|
|
5 -0.0391971912 0.0260254237
|
|
|
|
orbital 1 22 28 12.8042930801 0.0000000000
|
|
1 -0.0243543044 -0.0115573865
|
|
2 -0.0000000000 -0.0000000000
|
|
3 -0.0000000001 -0.0000000001
|
|
4 0.0243543053 0.0115573868
|
|
5 0.0000000004 -0.0000000004
|
|
|
|
orbital 1 22 29 12.9354083876 0.0000000000
|
|
1 0.0094067687 0.0000117492
|
|
2 -0.0000000001 0.0000000001
|
|
3 -0.0000000001 -0.0000000001
|
|
4 0.0094067530 0.0000117491
|
|
5 0.0000000002 -0.0000000005
|
|
|
|
orbital 1 22 30 14.0837602408 0.0000000000
|
|
1 -0.0000000290 -0.0000000144
|
|
2 -0.1296858735 0.0800170290
|
|
3 0.0104406944 -0.0064419788
|
|
4 0.0000000083 0.0000000015
|
|
5 -0.0173524988 0.0107066177
|
|
|
|
orbital 1 22 31 17.8580243396 0.0000000000
|
|
1 0.0000029081 0.0000023446
|
|
2 0.0000010084 0.0000012530
|
|
3 0.0636440165 0.0339597452
|
|
4 -0.0000026159 -0.0000017100
|
|
5 0.0352580517 0.0188142057
|
|
|
|
orbital 1 22 32 17.9890104276 0.0000000000
|
|
1 -0.0000188806 -0.0000073594
|
|
2 -0.0696369060 0.0021244436
|
|
3 -0.0267498099 0.0008201163
|
|
4 0.0000154458 0.0000043496
|
|
5 0.0444609597 -0.0013539627
|
|
|
|
orbital 1 23 1 -34.3556275203 1.0000000000
|
|
1 0.0187694697 -0.0075881481
|
|
2 -0.0187690984 0.0075880042
|
|
3 0.0000011932 -0.0000004852
|
|
4 -0.0187688895 0.0075879145
|
|
5 0.0000004634 -0.0000001860
|
|
|
|
orbital 1 23 2 -34.3552543609 1.0000000000
|
|
1 -0.0019223137 -0.0002685384
|
|
2 0.0081679645 0.0011332931
|
|
3 -0.0073734734 -0.0010300393
|
|
4 -0.0100913187 -0.0014019739
|
|
5 -0.0404288780 -0.0056134538
|
|
|
|
orbital 1 23 3 -34.3552543430 1.0000000000
|
|
1 0.0033119750 -0.0101140911
|
|
2 0.0021781276 -0.0066560658
|
|
3 0.0127022073 -0.0387899354
|
|
4 0.0011343771 -0.0034596746
|
|
5 -0.0023110272 0.0070772963
|
|
|
|
orbital 1 23 4 -29.1153378861 1.0000000000
|
|
1 -0.0756291085 -0.1574743795
|
|
2 0.0756290232 0.1574742988
|
|
3 0.0000001317 0.0000000060
|
|
4 0.0756290463 0.1574743803
|
|
5 -0.0000000248 -0.0000000358
|
|
|
|
orbital 1 23 5 -13.7053947947 1.0000000000
|
|
1 -0.0970158793 0.0376538901
|
|
2 0.0970158972 -0.0376539065
|
|
3 -0.0000000045 0.0000000287
|
|
4 0.0970158825 -0.0376539078
|
|
5 0.0000000115 -0.0000000078
|
|
|
|
orbital 1 23 6 -13.1555603270 1.0000000000
|
|
1 -0.0838719175 -0.0010049532
|
|
2 -0.0568239538 -0.0006827979
|
|
3 -0.3597660797 -0.0043107038
|
|
4 -0.0270479676 -0.0003221638
|
|
5 0.0737410402 0.0008931145
|
|
|
|
orbital 1 23 7 -13.1555603140 1.0000000000
|
|
1 0.0135090769 -0.0106341348
|
|
2 -0.0503289952 0.0396062225
|
|
3 0.0579467755 -0.0456147948
|
|
4 0.0638380670 -0.0502403598
|
|
5 0.2827377747 -0.2225074581
|
|
|
|
orbital 1 23 8 -11.2535327266 1.0000000000
|
|
1 -0.0764168345 0.1855537750
|
|
2 -0.0431727446 0.1048654789
|
|
3 0.0185259252 -0.0449842520
|
|
4 -0.0332440918 0.0806882877
|
|
5 -0.0013896967 0.0033840416
|
|
|
|
orbital 1 23 9 -11.2535327241 1.0000000000
|
|
1 0.0039476361 -0.0145643768
|
|
2 -0.0433227906 0.1604989801
|
|
3 -0.0009570378 0.0035308741
|
|
4 0.0472704282 -0.1750633530
|
|
5 -0.0126801936 0.0469681416
|
|
|
|
orbital 1 23 10 -10.9104119671 1.0000000000
|
|
1 0.0483379810 0.0593494059
|
|
2 -0.0483379833 -0.0593494050
|
|
3 -0.0000000002 -0.0000000019
|
|
4 -0.0483379818 -0.0593494047
|
|
5 -0.0000000007 0.0000000008
|
|
|
|
orbital 1 23 11 -1.2692127166 1.0000000000
|
|
1 0.0876002344 -0.1721055403
|
|
2 -0.0876002626 0.1721055650
|
|
3 -0.0000000511 0.0000000395
|
|
4 -0.0876002401 0.1721055572
|
|
5 0.0000000043 -0.0000000133
|
|
|
|
orbital 1 23 12 -0.7076273136 1.0000000000
|
|
1 -0.0191587975 -0.0030656330
|
|
2 -0.0662812677 -0.0106017153
|
|
3 0.1649539581 0.0263945184
|
|
4 0.0471222858 0.0075360416
|
|
5 -0.5637141873 -0.0901603540
|
|
|
|
orbital 1 23 13 -0.7076272745 1.0000000000
|
|
1 -0.0652922529 -0.0115481461
|
|
2 -0.0160997155 -0.0028487340
|
|
3 0.5621536910 0.0994272885
|
|
4 -0.0491927782 -0.0086994649
|
|
5 0.1645011949 0.0290832406
|
|
|
|
orbital 1 23 14 -0.5032019893 1.0000000000
|
|
1 0.1887499681 -0.2883254868
|
|
2 -0.1887500070 0.2883255035
|
|
3 -0.0000001024 0.0000000471
|
|
4 -0.1887499672 0.2883254906
|
|
5 0.0000000090 -0.0000000145
|
|
|
|
orbital 1 23 15 -0.2378721769 1.0000000000
|
|
1 0.2838102136 -0.4156576385
|
|
2 0.1418461627 -0.2079257623
|
|
3 0.0600702370 -0.0879765542
|
|
4 0.1419640755 -0.2077319400
|
|
5 0.0000144160 0.0000236761
|
|
|
|
orbital 1 23 16 -0.2378721693 1.0000000000
|
|
1 0.0001210355 0.0000500660
|
|
2 -0.3178229593 0.2982527158
|
|
3 0.0000256144 0.0000105886
|
|
4 0.3179439951 -0.2982026380
|
|
5 0.0776906075 -0.0728867353
|
|
|
|
orbital 1 23 17 2.7101360716 1.0000000000
|
|
1 0.0172510238 -0.0140202504
|
|
2 0.0095561079 -0.0077663686
|
|
3 0.0843709599 -0.0685699583
|
|
4 0.0076949168 -0.0062538826
|
|
5 -0.0052554320 0.0042707961
|
|
|
|
orbital 1 23 18 2.7101360740 1.0000000000
|
|
1 0.0011679930 -0.0007436450
|
|
2 -0.0156559337 0.0099668752
|
|
3 0.0057123963 -0.0036370038
|
|
4 0.0168239265 -0.0107105201
|
|
5 0.0917131513 -0.0583866149
|
|
|
|
orbital 1 23 19 3.0297424155 1.0000000000
|
|
1 -0.0000000000 -0.0000000000
|
|
2 0.0000000001 0.0000000007
|
|
3 0.0000000000 -0.0000000000
|
|
4 -0.0000000001 -0.0000000007
|
|
5 0.0000000000 0.0000000004
|
|
|
|
orbital 1 23 20 6.4002579206 0.0518201525
|
|
1 -0.2689704703 0.2479096716
|
|
2 0.2689741136 -0.2479130296
|
|
3 -0.0000001852 0.0000001707
|
|
4 0.2689740348 -0.2479129569
|
|
5 0.0000000035 -0.0000000032
|
|
|
|
orbital 1 23 21 6.4468297550 -0.0142587801
|
|
1 -0.0045489257 0.0024670882
|
|
2 -0.4042979728 0.2192671393
|
|
3 0.0003532694 -0.0001915940
|
|
4 0.3997492191 -0.2168001444
|
|
5 -0.0360515264 0.0195521996
|
|
|
|
orbital 1 23 22 6.4468301589 -0.0069450130
|
|
1 -0.1705417386 -0.4998000673
|
|
2 -0.0838225384 -0.2456554147
|
|
3 0.0132443774 0.0388147838
|
|
4 -0.0867170017 -0.2541382094
|
|
5 0.0001297807 0.0003803480
|
|
|
|
orbital 1 23 23 9.8449521452 0.0000000000
|
|
1 0.0008657629 -0.0003496381
|
|
2 -0.0151404868 0.0061145609
|
|
3 0.0295105793 -0.0119178400
|
|
4 0.0160062498 -0.0064641991
|
|
5 0.6129579302 -0.2475460206
|
|
|
|
orbital 1 23 24 9.8449526506 0.0000000000
|
|
1 -0.0034975284 -0.0190756985
|
|
2 -0.0018945941 -0.0103331932
|
|
3 -0.1192174738 -0.6502181802
|
|
4 -0.0016029330 -0.0087424981
|
|
5 0.0057397973 0.0313043763
|
|
|
|
orbital 1 23 25 11.3939399398 0.0000000000
|
|
1 0.0676279105 0.0264250361
|
|
2 -0.0676279043 -0.0264250332
|
|
3 -0.0000000016 -0.0000000005
|
|
4 -0.0676279050 -0.0264250335
|
|
5 0.0000000007 0.0000000002
|
|
|
|
orbital 1 23 26 11.5153814285 0.0000000000
|
|
1 -0.0002826749 0.0002459664
|
|
2 0.0461107007 -0.0401242268
|
|
3 -0.0000044363 0.0000038602
|
|
4 -0.0463933751 0.0403701928
|
|
5 -0.0008379387 0.0007291505
|
|
|
|
orbital 1 23 27 11.5153814472 0.0000000000
|
|
1 0.0672049492 -0.0222624221
|
|
2 0.0339105068 -0.0112332567
|
|
3 0.0010543929 -0.0003492800
|
|
4 0.0332944250 -0.0110291597
|
|
5 -0.0000055790 0.0000018482
|
|
|
|
orbital 1 23 28 12.8153679752 0.0000000000
|
|
1 0.0003031472 0.0015066488
|
|
2 0.0111002149 0.0550731486
|
|
3 0.0001317211 0.0006546572
|
|
4 -0.0107970678 -0.0535665000
|
|
5 -0.0054932733 -0.0272539423
|
|
|
|
orbital 1 23 29 12.8153679803 0.0000000000
|
|
1 0.0639845339 -0.0000284997
|
|
2 0.0306613215 -0.0000132058
|
|
3 0.0278020419 -0.0000123836
|
|
4 0.0333232116 -0.0000152941
|
|
5 0.0006677761 -0.0000005240
|
|
|
|
orbital 1 23 30 15.0673112482 0.0000000000
|
|
1 -0.1024548855 -0.0163631492
|
|
2 0.1024547183 0.0163629464
|
|
3 -0.0000000263 -0.0000000502
|
|
4 0.1024548595 0.0163629183
|
|
5 0.0000000205 -0.0000000123
|
|
|
|
orbital 1 23 31 17.2578563170 0.0000000000
|
|
1 0.0455528485 -0.0519000075
|
|
2 -0.0455580340 0.0519100034
|
|
3 -0.0000020945 0.0000023431
|
|
4 -0.0455605423 0.0519068414
|
|
5 -0.0000007290 -0.0000009384
|
|
|
|
orbital 1 23 32 18.8701491556 0.0000000000
|
|
1 -0.0234676029 -0.0267558629
|
|
2 0.0656377241 -0.0592477389
|
|
3 -0.0103490409 -0.0117995818
|
|
4 -0.0891028476 0.0324920210
|
|
5 -0.0394009112 0.0233587716
|
|
|
|
orbital 1 24 1 -34.3556275200 1.0000000000
|
|
1 0.0171623351 -0.0107390360
|
|
2 0.0171619944 -0.0107388279
|
|
3 -0.0000011063 0.0000006864
|
|
4 -0.0171617997 0.0107387098
|
|
5 -0.0000004449 0.0000002685
|
|
|
|
orbital 1 24 2 -34.3552543609 1.0000000000
|
|
1 0.0010060819 0.0015538039
|
|
2 0.0045226722 0.0069655307
|
|
3 -0.0038591120 -0.0059600356
|
|
4 0.0055293444 0.0085202301
|
|
5 -0.0222567282 -0.0342878633
|
|
|
|
orbital 1 24 3 -34.3552543433 1.0000000000
|
|
1 0.0106420942 -0.0005920583
|
|
2 -0.0069227470 0.0003869620
|
|
3 -0.0408149848 0.0022706618
|
|
4 0.0037211186 -0.0002051971
|
|
5 0.0070889092 -0.0004024668
|
|
|
|
orbital 1 24 4 -29.1153378822 1.0000000000
|
|
1 -0.1745920428 0.0059692815
|
|
2 -0.1745921343 0.0059693123
|
|
3 0.0000001440 -0.0000001228
|
|
4 0.1745922015 -0.0059692867
|
|
5 -0.0000000374 -0.0000000745
|
|
|
|
orbital 1 24 5 -13.7053947947 1.0000000000
|
|
1 -0.1025829099 0.0175112616
|
|
2 -0.1025828987 0.0175112592
|
|
3 0.0000000002 0.0000000068
|
|
4 0.1025828953 -0.0175112521
|
|
5 -0.0000000046 -0.0000000030
|
|
|
|
orbital 1 24 6 -13.1555603269 1.0000000000
|
|
1 0.0837076915 0.0045103246
|
|
2 -0.0569158563 -0.0032354442
|
|
3 -0.3590616834 -0.0193468943
|
|
4 0.0267919065 0.0012748243
|
|
5 0.0746027956 0.0048555173
|
|
|
|
orbital 1 24 7 -13.1555603140 1.0000000000
|
|
1 0.0007757657 -0.0174116051
|
|
2 0.0036528738 -0.0637798227
|
|
3 -0.0033275505 0.0746865571
|
|
4 0.0044285522 -0.0811914204
|
|
5 -0.0200139076 0.3590251367
|
|
|
|
orbital 1 24 8 -11.2535327266 1.0000000000
|
|
1 0.1272460232 -0.1553872231
|
|
2 -0.0704406965 0.0862984647
|
|
3 0.0308485785 -0.0376709134
|
|
4 0.0568053581 -0.0690887651
|
|
5 -0.0019085205 0.0024088118
|
|
|
|
orbital 1 24 9 -11.2535327241 1.0000000000
|
|
1 0.0026779401 -0.0123906251
|
|
2 0.0326579524 -0.1643824385
|
|
3 0.0006492189 -0.0030038779
|
|
4 0.0353358877 -0.1767730462
|
|
5 0.0095169926 -0.0477510028
|
|
|
|
orbital 1 24 10 -10.9104119671 1.0000000000
|
|
1 0.0762466145 -0.0067353064
|
|
2 0.0762466189 -0.0067353032
|
|
3 0.0000000050 -0.0000000090
|
|
4 -0.0762466145 0.0067353045
|
|
5 -0.0000000056 -0.0000000080
|
|
|
|
orbital 1 24 11 -1.2692127168 1.0000000000
|
|
1 -0.1774101014 0.0762874495
|
|
2 -0.1774100915 0.0762874600
|
|
3 -0.0000000754 0.0000000501
|
|
4 0.1774100884 -0.0762874517
|
|
5 0.0000000281 -0.0000000024
|
|
|
|
orbital 1 24 12 -0.7076273135 1.0000000000
|
|
1 -0.0011761438 -0.0195579177
|
|
2 0.0038831376 0.0670582166
|
|
3 -0.0101261335 -0.1683902820
|
|
4 0.0027070847 0.0475000694
|
|
5 0.0327590101 0.5694541881
|
|
|
|
orbital 1 24 13 -0.7076272744 1.0000000000
|
|
1 -0.0560225241 -0.0353620666
|
|
2 0.0136860708 0.0085866366
|
|
3 -0.4823432543 -0.3044604900
|
|
4 -0.0423367107 -0.0267755245
|
|
5 -0.1424184610 -0.0904145859
|
|
|
|
orbital 1 24 14 -0.5032019904 1.0000000000
|
|
1 -0.3082360291 0.1541060606
|
|
2 -0.3082359964 0.1541060486
|
|
3 -0.0000001041 0.0000001008
|
|
4 0.3082359815 -0.1541060297
|
|
5 0.0000000653 0.0000000017
|
|
|
|
orbital 1 24 15 -0.2378721761 1.0000000000
|
|
1 -0.0951191159 0.4855751628
|
|
2 0.0320913270 -0.1645111042
|
|
3 0.0201325637 -0.1027750519
|
|
4 -0.0630278384 0.3210641299
|
|
5 0.0037804420 -0.0191307517
|
|
|
|
orbital 1 24 16 -0.2378721692 1.0000000000
|
|
1 0.0019696938 0.0921127591
|
|
2 -0.0094361919 -0.4744857869
|
|
3 -0.0004168977 -0.0194962668
|
|
4 -0.0074664438 -0.3823730349
|
|
5 0.0020654897 0.1047079887
|
|
|
|
orbital 1 24 17 2.7101360709 1.0000000000
|
|
1 -0.0162805032 0.0038741846
|
|
2 -0.0042424158 0.0010096631
|
|
3 0.0796243552 -0.0189477837
|
|
4 -0.0205229191 0.0048838477
|
|
5 0.0699297003 -0.0166414647
|
|
|
|
orbital 1 24 18 2.7101360734 1.0000000000
|
|
1 0.0146520148 0.0011562199
|
|
2 -0.0217741395 -0.0017181100
|
|
3 -0.0716597793 -0.0056548171
|
|
4 -0.0071221234 -0.0005618899
|
|
5 0.0815941709 0.0064380195
|
|
|
|
orbital 1 24 19 3.0297424173 1.0000000000
|
|
1 -0.0000000005 0.0000000000
|
|
2 -0.0000000003 0.0000000000
|
|
3 0.0000000002 -0.0000000000
|
|
4 -0.0000000006 0.0000000000
|
|
5 -0.0000000009 0.0000000000
|
|
|
|
orbital 1 24 20 6.4002579183 0.0027008017
|
|
1 -0.3111135843 -0.1923867523
|
|
2 -0.3111178012 -0.1923893599
|
|
3 0.0000002140 0.0000001323
|
|
4 0.3111176849 0.1923892880
|
|
5 -0.0000000056 -0.0000000034
|
|
|
|
orbital 1 24 21 6.4468297553 0.0000000000
|
|
1 -0.0023617169 -0.0009419211
|
|
2 0.4259988252 0.1699008314
|
|
3 -0.0001834080 -0.0000731484
|
|
4 0.4236372914 0.1689589833
|
|
5 0.0380956227 0.0151936522
|
|
|
|
orbital 1 24 22 6.4468301609 0.0000000000
|
|
1 -0.3442592964 -0.4004877494
|
|
2 0.1706920819 0.1985715072
|
|
3 -0.0267353913 -0.0311021280
|
|
4 -0.1735627865 -0.2019110910
|
|
5 -0.0001287153 -0.0001497386
|
|
|
|
orbital 1 24 23 9.8449521447 0.0000000000
|
|
1 -0.0007711764 -0.0005195426
|
|
2 -0.0135437718 -0.0091244918
|
|
3 0.0262864824 0.0177092389
|
|
4 -0.0143149472 -0.0096440337
|
|
5 0.5482508067 0.3693586638
|
|
|
|
orbital 1 24 24 9.8449526509 0.0000000000
|
|
1 0.0001293741 -0.0193934369
|
|
2 -0.0000700603 0.0105019783
|
|
3 -0.0044098717 0.6610486774
|
|
4 0.0000593137 -0.0088914526
|
|
5 0.0002114896 -0.0316946623
|
|
|
|
orbital 1 24 25 11.3939399398 0.0000000000
|
|
1 0.0313533301 0.0654888198
|
|
2 0.0313533265 0.0654888138
|
|
3 0.0000000006 0.0000000017
|
|
4 -0.0313533269 -0.0654888141
|
|
5 -0.0000000004 -0.0000000010
|
|
|
|
orbital 1 24 26 11.5153814287 0.0000000000
|
|
1 0.0007167716 -0.0006758268
|
|
2 0.0442459301 -0.0417206335
|
|
3 -0.0000112471 0.0000106045
|
|
4 0.0449627013 -0.0423964599
|
|
5 -0.0008080870 0.0007619658
|
|
|
|
orbital 1 24 27 11.5153814472 0.0000000000
|
|
1 -0.0623795672 -0.0334675988
|
|
2 0.0319415760 0.0171371223
|
|
3 0.0009786867 0.0005250805
|
|
4 -0.0304379750 -0.0163304679
|
|
5 -0.0000136188 -0.0000073062
|
|
|
|
orbital 1 24 28 12.8153679749 0.0000000000
|
|
1 -0.0025503357 -0.0011319160
|
|
2 -0.0493413849 -0.0218931844
|
|
3 0.0011081510 0.0004918307
|
|
4 -0.0518917206 -0.0230251004
|
|
5 0.0253958961 0.0112684491
|
|
|
|
orbital 1 24 29 12.8153679800 0.0000000000
|
|
1 0.0590724877 0.0244752702
|
|
2 -0.0317687290 -0.0131623509
|
|
3 -0.0256676994 -0.0106347962
|
|
4 0.0273037580 0.0113129190
|
|
5 0.0011201076 0.0004639589
|
|
|
|
orbital 1 24 30 15.0673112477 0.0000000000
|
|
1 -0.1013467761 -0.0222152708
|
|
2 -0.1013471610 -0.0222158289
|
|
3 -0.0000000274 -0.0000001778
|
|
4 0.1013468663 0.0222158756
|
|
5 0.0000000825 0.0000000083
|
|
|
|
orbital 1 24 31 17.2578565124 0.0000000000
|
|
1 0.0313346438 -0.0615307794
|
|
2 0.0312944361 -0.0615612124
|
|
3 -0.0000082833 -0.0000110621
|
|
4 -0.0313167449 0.0615733629
|
|
5 0.0000061685 -0.0000028441
|
|
|
|
orbital 1 24 32 18.8701501349 0.0000000000
|
|
1 0.0021677617 0.0480593852
|
|
2 0.0837783812 -0.0139332570
|
|
3 -0.0009560737 -0.0211962591
|
|
4 0.0859542812 0.0341320040
|
|
5 -0.0432169897 -0.0051418416
|
|
|
|
orbital 1 25 1 -34.3571223903 1.0000000000
|
|
1 0.0000000265 -0.0000000005
|
|
2 -0.0051245310 -0.0311638441
|
|
3 0.0008839234 0.0053754745
|
|
4 -0.0000000023 0.0000000104
|
|
5 -0.0014695573 -0.0089368598
|
|
|
|
orbital 1 25 2 -34.3566437945 1.0000000000
|
|
1 0.0000000145 0.0000000145
|
|
2 -0.0000008667 -0.0000005083
|
|
3 0.0343926621 0.0209110827
|
|
4 -0.0000000143 -0.0000000103
|
|
5 0.0190532945 0.0115845661
|
|
|
|
orbital 1 25 3 -34.3294817068 1.0000000000
|
|
1 -0.0026916825 0.0050221201
|
|
2 -0.0000000123 0.0000000078
|
|
3 -0.0000000046 -0.0000000016
|
|
4 -0.0026916929 0.0050221060
|
|
5 0.0000000006 -0.0000000037
|
|
|
|
orbital 1 25 4 -29.1330551665 1.0000000000
|
|
1 0.0000002526 -0.0000000849
|
|
2 -0.2081635433 0.2689353613
|
|
3 -0.0075348515 0.0097347047
|
|
4 -0.0000001350 0.0000000711
|
|
5 0.0125229261 -0.0161790138
|
|
|
|
orbital 1 25 5 -14.1262943675 1.0000000000
|
|
1 0.0000000064 0.0000000005
|
|
2 0.0654454326 0.0057844634
|
|
3 0.1971595465 0.0174261386
|
|
4 -0.0000000110 -0.0000000028
|
|
5 -0.3276804687 -0.0289623521
|
|
|
|
orbital 1 25 6 -13.4204398375 1.0000000000
|
|
1 -0.0000000451 -0.0000000306
|
|
2 0.0000000345 -0.0000000235
|
|
3 0.3242940606 -0.0674097699
|
|
4 0.0000000234 0.0000000146
|
|
5 0.1796595853 -0.0373451074
|
|
|
|
orbital 1 25 7 -13.1375435621 1.0000000000
|
|
1 0.0000000062 -0.0000000123
|
|
2 -0.0416454018 0.0340785441
|
|
3 0.1816359144 -0.1486331070
|
|
4 0.0000000129 0.0000000042
|
|
5 -0.3018801172 0.2470292440
|
|
|
|
orbital 1 25 8 -11.0855568356 1.0000000000
|
|
1 -0.0725865721 -0.0303666900
|
|
2 0.0000000246 -0.0000000086
|
|
3 0.0000000286 -0.0000000109
|
|
4 -0.0725865401 -0.0303666466
|
|
5 -0.0000000159 0.0000000126
|
|
|
|
orbital 1 25 9 -10.8760294539 1.0000000000
|
|
1 0.0000000050 0.0000000173
|
|
2 -0.0000000175 0.0000000073
|
|
3 -0.0268416868 0.0559691122
|
|
4 -0.0000000087 -0.0000000132
|
|
5 -0.0148703379 0.0310070031
|
|
|
|
orbital 1 25 10 -10.7875709958 1.0000000000
|
|
1 -0.0000000033 -0.0000000066
|
|
2 -0.0807971182 0.0755926974
|
|
3 -0.0018829186 0.0017616392
|
|
4 0.0000000068 0.0000000051
|
|
5 0.0031294298 -0.0029278563
|
|
|
|
orbital 1 25 11 -1.2170847561 1.0000000000
|
|
1 -0.0000000411 -0.0000000659
|
|
2 -0.3412276067 -0.0794587930
|
|
3 -0.1056204302 -0.0245949712
|
|
4 0.0000000214 0.0000000412
|
|
5 0.1755420377 0.0408770142
|
|
|
|
orbital 1 25 12 -0.7514101089 1.0000000000
|
|
1 -0.0000000521 -0.0000001517
|
|
2 -0.5458532878 0.0224515472
|
|
3 0.0816796121 -0.0033595883
|
|
4 0.0000000480 0.0000000853
|
|
5 -0.1357534822 0.0055837469
|
|
|
|
orbital 1 25 13 -0.7348225000 1.0000000000
|
|
1 0.0000000246 0.0000000751
|
|
2 -0.0000006555 -0.0000004983
|
|
3 0.3787518241 0.3109360809
|
|
4 -0.0000000026 -0.0000000402
|
|
5 0.2098292357 0.1722590805
|
|
|
|
orbital 1 25 14 0.1984516855 1.0000000000
|
|
1 0.0724984418 0.3128385189
|
|
2 -0.0000000396 -0.0000000009
|
|
3 -0.0000000506 0.0000000062
|
|
4 0.0724984272 0.3128384651
|
|
5 0.0000000298 -0.0000000132
|
|
|
|
orbital 1 25 15 0.6079843715 1.0000000000
|
|
1 0.3627884146 -0.2061794057
|
|
2 -0.0000000819 0.0000000025
|
|
3 -0.0000001092 0.0000000075
|
|
4 -0.3627884352 0.2061794676
|
|
5 0.0000000633 -0.0000000224
|
|
|
|
orbital 1 25 16 1.5108721541 1.0000000000
|
|
1 -0.0000000039 -0.0000000906
|
|
2 -0.0016235865 -0.0027007154
|
|
3 0.0203061764 0.0337757747
|
|
4 0.0000000448 0.0000000614
|
|
5 -0.0337488671 -0.0561355615
|
|
|
|
orbital 1 25 17 1.7093498712 1.0000000000
|
|
1 0.0627808175 -0.2519873968
|
|
2 -0.0000000000 0.0000000001
|
|
3 0.0000000003 -0.0000000012
|
|
4 0.0627808208 -0.2519874102
|
|
5 0.0000000002 -0.0000000009
|
|
|
|
orbital 1 25 18 1.8370285448 1.0000000000
|
|
1 -0.0000000019 -0.0000000006
|
|
2 -0.0000000003 -0.0000000001
|
|
3 0.1435928772 0.0460955779
|
|
4 -0.0000000018 -0.0000000006
|
|
5 0.0795507767 0.0255370538
|
|
|
|
orbital 1 25 19 2.8843438510 1.0000000000
|
|
1 0.0000000003 -0.0000000006
|
|
2 0.0000000003 -0.0000000006
|
|
3 0.0245252056 -0.0481960974
|
|
4 0.0000000000 -0.0000000001
|
|
5 0.0135870193 -0.0267007469
|
|
|
|
orbital 1 25 20 5.8996117570 0.2052693418
|
|
1 -0.3520700433 0.4217957316
|
|
2 -0.0000000014 0.0000000017
|
|
3 -0.0000000005 0.0000000006
|
|
4 -0.3520721542 0.4217982605
|
|
5 0.0000000009 -0.0000000011
|
|
|
|
orbital 1 25 21 5.9904359237 0.0000000000
|
|
1 -0.5146120973 0.1906331178
|
|
2 -0.0000000022 0.0000000008
|
|
3 0.0000000007 -0.0000000002
|
|
4 0.5146089837 -0.1906319644
|
|
5 -0.0000000012 0.0000000004
|
|
|
|
orbital 1 25 22 6.2730969793 0.0000000000
|
|
1 0.0000000041 -0.0000000005
|
|
2 -0.5880216603 0.0718818438
|
|
3 -0.0216658955 0.0026485156
|
|
4 -0.0000000001 0.0000000000
|
|
5 0.0360088647 -0.0044018508
|
|
|
|
orbital 1 25 23 7.5215231453 0.0000000000
|
|
1 -0.0000000001 0.0000000001
|
|
2 0.0058939514 -0.0062277561
|
|
3 -0.2661175369 0.2811891383
|
|
4 0.0000000018 -0.0000000019
|
|
5 0.4422891998 -0.4673383063
|
|
|
|
orbital 1 25 24 9.8885519626 0.0000000000
|
|
1 -0.0000000000 0.0000000000
|
|
2 -0.0000000001 0.0000000001
|
|
3 0.3408934288 -0.4244976856
|
|
4 -0.0000000001 0.0000000001
|
|
5 0.1888556527 -0.2351725809
|
|
|
|
orbital 1 25 25 11.1923222699 0.0000000000
|
|
1 -0.0000000000 0.0000000001
|
|
2 0.0688838699 -0.1130089880
|
|
3 -0.0219082362 0.0359420515
|
|
4 -0.0000000000 0.0000000000
|
|
5 0.0364116377 -0.0597359342
|
|
|
|
orbital 1 25 26 12.0567037886 0.0000000000
|
|
1 0.0000000000 0.0000000002
|
|
2 -0.0751587015 -0.0745414280
|
|
3 -0.0225875444 -0.0224020342
|
|
4 -0.0000000004 -0.0000000002
|
|
5 0.0375406554 0.0372323367
|
|
|
|
orbital 1 25 27 12.1325741501 0.0000000000
|
|
1 -0.0000000000 0.0000000000
|
|
2 -0.0000000007 0.0000000011
|
|
3 0.0454501148 -0.0717432239
|
|
4 -0.0000000000 0.0000000000
|
|
5 0.0251794648 -0.0397459057
|
|
|
|
orbital 1 25 28 12.8042930800 0.0000000000
|
|
1 0.0073789460 -0.0259279097
|
|
2 -0.0000000000 -0.0000000001
|
|
3 0.0000000001 -0.0000000001
|
|
4 0.0073789463 -0.0259279105
|
|
5 0.0000000000 -0.0000000002
|
|
|
|
orbital 1 25 29 12.9354083877 0.0000000000
|
|
1 0.0067411826 0.0065607837
|
|
2 -0.0000000001 -0.0000000001
|
|
3 0.0000000002 0.0000000001
|
|
4 -0.0067411718 -0.0065607735
|
|
5 0.0000000000 -0.0000000002
|
|
|
|
orbital 1 25 30 14.0837602394 0.0000000000
|
|
1 -0.0000000039 0.0000000114
|
|
2 0.0038868233 -0.1523353002
|
|
3 0.0003129134 -0.0122641327
|
|
4 0.0000000038 -0.0000000113
|
|
5 -0.0005200792 0.0203830889
|
|
|
|
orbital 1 25 31 17.8580243681 0.0000000000
|
|
1 0.0000037465 0.0000057139
|
|
2 0.0000013790 0.0000007171
|
|
3 -0.0414454259 -0.0590446568
|
|
4 0.0000037501 0.0000062026
|
|
5 -0.0229597593 -0.0327103283
|
|
|
|
orbital 1 25 32 17.9890100739 0.0000000000
|
|
1 0.0000012172 -0.0000048698
|
|
2 0.0028084257 -0.0696123427
|
|
3 -0.0010815898 0.0267443895
|
|
4 0.0000023463 -0.0000070143
|
|
5 0.0017908561 -0.0444440621
|
|
|
|
orbital 1 26 1 -34.3556275200 1.0000000000
|
|
1 0.0190312120 -0.0069055058
|
|
2 -0.0190308412 0.0069053667
|
|
3 -0.0000012254 0.0000004454
|
|
4 0.0190306343 -0.0069052977
|
|
5 -0.0000004556 0.0000001595
|
|
|
|
orbital 1 26 2 -34.3552543610 1.0000000000
|
|
1 -0.0013991105 0.0015406279
|
|
2 0.0054829739 -0.0060341528
|
|
3 0.0053665728 -0.0059093840
|
|
4 0.0068828225 -0.0075755934
|
|
5 0.0273797693 -0.0301340592
|
|
|
|
orbital 1 26 3 -34.3552543431 1.0000000000
|
|
1 0.0104513758 -0.0018624702
|
|
2 0.0070012899 -0.0012471943
|
|
3 -0.0400835492 0.0071430152
|
|
4 -0.0034518268 0.0006155891
|
|
5 0.0078590773 -0.0013984806
|
|
|
|
orbital 1 26 4 -29.1153378854 1.0000000000
|
|
1 0.1021559337 -0.1417112002
|
|
2 -0.1021559465 0.1417112704
|
|
3 -0.0000000625 0.0000000213
|
|
4 0.1021559480 -0.1417110579
|
|
5 0.0000001218 0.0000000568
|
|
|
|
orbital 1 26 5 -13.7053947946 1.0000000000
|
|
1 -0.0335183338 -0.0985211668
|
|
2 0.0335183310 0.0985211598
|
|
3 0.0000000039 0.0000000035
|
|
4 -0.0335183401 -0.0985211698
|
|
5 -0.0000000080 0.0000000004
|
|
|
|
orbital 1 26 6 -13.1555603270 1.0000000000
|
|
1 -0.0743067182 -0.0389096611
|
|
2 -0.0503508306 -0.0263508640
|
|
3 0.3187364601 0.1669018310
|
|
4 0.0239559075 0.0125587989
|
|
5 -0.0653677484 -0.0341564231
|
|
|
|
orbital 1 26 7 -13.1555603140 1.0000000000
|
|
1 0.0150271767 -0.0083559339
|
|
2 -0.0559410981 0.0311786538
|
|
3 -0.0644586488 0.0358425160
|
|
4 -0.0709682964 0.0395345851
|
|
5 -0.3142944681 0.1751232284
|
|
|
|
orbital 1 26 8 -11.2535327266 1.0000000000
|
|
1 0.1993869127 0.0211979640
|
|
2 0.1144477028 0.0120211169
|
|
3 0.0483378590 0.0051390739
|
|
4 -0.0849392103 -0.0091768375
|
|
5 -0.0041302549 -0.0003981075
|
|
|
|
orbital 1 26 9 -11.2535327241 1.0000000000
|
|
1 0.0009351541 0.0170901188
|
|
2 -0.0107233009 -0.1647412131
|
|
3 0.0002267161 0.0041432007
|
|
4 -0.0116584542 -0.1818313647
|
|
5 0.0031327279 0.0485092220
|
|
|
|
orbital 1 26 10 -10.9104119671 1.0000000000
|
|
1 -0.0706555849 -0.0294397783
|
|
2 0.0706555867 0.0294397808
|
|
3 -0.0000000010 0.0000000007
|
|
4 -0.0706555842 -0.0294397752
|
|
5 0.0000000032 0.0000000009
|
|
|
|
orbital 1 26 11 -1.2692127168 1.0000000000
|
|
1 -0.1065553258 0.1610592971
|
|
2 0.1065553257 -0.1610592775
|
|
3 -0.0000000521 0.0000000565
|
|
4 -0.1065553332 0.1610593235
|
|
5 0.0000000372 -0.0000000035
|
|
|
|
orbital 1 26 12 -0.7076273134 1.0000000000
|
|
1 0.0185622997 -0.0055527464
|
|
2 0.0643011367 -0.0192368689
|
|
3 0.1598181230 -0.0478082072
|
|
4 0.0457386507 -0.0136840597
|
|
5 -0.5469933295 0.1636456301
|
|
|
|
orbital 1 26 13 -0.7076272745 1.0000000000
|
|
1 0.0426921953 -0.0507432897
|
|
2 0.0105441622 -0.0125318682
|
|
3 0.3675714716 -0.4368898930
|
|
4 -0.0321481944 0.0382116106
|
|
5 0.1073907951 -0.1276506068
|
|
|
|
orbital 1 26 14 -0.5032019904 1.0000000000
|
|
1 0.1803394389 -0.2936594567
|
|
2 -0.1803394220 0.2936593885
|
|
3 0.0000000736 -0.0000000841
|
|
4 0.1803394433 -0.2936594678
|
|
5 -0.0000000517 0.0000000027
|
|
|
|
orbital 1 26 15 -0.2378721761 1.0000000000
|
|
1 -0.1870722939 0.4579065536
|
|
2 -0.1239057818 0.3035287135
|
|
3 0.0395950305 -0.0969188160
|
|
4 0.0631665310 -0.1543778467
|
|
5 -0.0074223108 0.0182262116
|
|
|
|
orbital 1 26 16 -0.2378721692 1.0000000000
|
|
1 -0.0684204333 0.0629580698
|
|
2 0.2806943558 -0.2589361062
|
|
3 0.0144816228 -0.0133254759
|
|
4 0.3491148055 -0.3218942140
|
|
5 0.0769625593 -0.0709773689
|
|
|
|
orbital 1 26 17 2.7101360707 1.0000000000
|
|
1 0.0151126576 -0.0067445268
|
|
2 0.0193449923 -0.0086333002
|
|
3 -0.0739126799 0.0329859949
|
|
4 0.0042323343 -0.0018887733
|
|
5 0.0665751296 -0.0297111039
|
|
|
|
orbital 1 26 18 2.7101360737 1.0000000000
|
|
1 -0.0077344224 0.0127428460
|
|
2 0.0035692875 -0.0058804873
|
|
3 0.0378273571 -0.0623224544
|
|
4 0.0113037103 -0.0186233341
|
|
5 0.0419967778 -0.0691912656
|
|
|
|
orbital 1 26 19 3.0297424173 1.0000000000
|
|
1 0.0000000001 -0.0000000005
|
|
2 0.0000000001 -0.0000000006
|
|
3 -0.0000000000 0.0000000001
|
|
4 0.0000000001 -0.0000000003
|
|
5 -0.0000000002 0.0000000009
|
|
|
|
orbital 1 26 20 6.4002579183 0.0027008007
|
|
1 -0.1173207942 0.3464681169
|
|
2 0.1173223748 -0.3464727850
|
|
3 0.0000000807 -0.0000002383
|
|
4 -0.1173223500 0.3464727115
|
|
5 -0.0000000009 0.0000000028
|
|
|
|
orbital 1 26 21 6.4468297552 0.0000000000
|
|
1 0.0023698038 -0.0073899863
|
|
2 0.1408276477 -0.4391675751
|
|
3 0.0001840398 -0.0005739089
|
|
4 0.1384579029 -0.4317777728
|
|
5 -0.0125224867 0.0390510769
|
|
|
|
orbital 1 26 22 6.4468301610 0.0000000000
|
|
1 -0.4681659752 0.2442780329
|
|
2 -0.2281214665 0.1190283776
|
|
3 -0.0363580612 0.0189707841
|
|
4 0.2400384875 -0.1252465136
|
|
5 -0.0005343307 0.0002788063
|
|
|
|
orbital 1 26 23 9.8449521447 0.0000000000
|
|
1 -0.0009103975 -0.0002111165
|
|
2 0.0159060290 0.0036885256
|
|
3 0.0310320016 0.0071961630
|
|
4 0.0168164281 0.0038996425
|
|
5 0.6439676417 0.1493327572
|
|
|
|
orbital 1 26 24 9.8449526509 0.0000000000
|
|
1 -0.0092009385 -0.0170720856
|
|
2 -0.0049844480 -0.0092485046
|
|
3 0.3136250821 0.5819226195
|
|
4 0.0042164876 0.0078235757
|
|
5 -0.0151132060 -0.0280421280
|
|
|
|
orbital 1 26 25 11.3939399398 0.0000000000
|
|
1 -0.0051079710 -0.0724273803
|
|
2 0.0051079705 0.0724273737
|
|
3 -0.0000000001 -0.0000000019
|
|
4 -0.0051079703 -0.0724273744
|
|
5 0.0000000000 0.0000000006
|
|
|
|
orbital 1 26 26 11.5153814287 0.0000000000
|
|
1 0.0001699964 0.0001494106
|
|
2 0.0461477460 0.0405392465
|
|
3 -0.0000026659 -0.0000023430
|
|
4 0.0459777490 0.0403898355
|
|
5 0.0008345091 0.0007330876
|
|
|
|
orbital 1 26 27 11.5153814471 0.0000000000
|
|
1 -0.0527243459 -0.0472477846
|
|
2 -0.0262161657 -0.0234931163
|
|
3 0.0008272037 0.0007412808
|
|
4 0.0265081665 0.0237546561
|
|
5 0.0000026465 0.0000023704
|
|
|
|
orbital 1 26 28 12.8153679749 0.0000000000
|
|
1 0.0057590558 0.0005077251
|
|
2 0.0578681116 0.0050989331
|
|
3 -0.0025023788 -0.0002206127
|
|
4 0.0521090557 0.0045912080
|
|
5 0.0275894799 0.0024309225
|
|
|
|
orbital 1 26 29 12.8153679801 0.0000000000
|
|
1 0.0626295837 0.0118530307
|
|
2 0.0263952391 0.0049957163
|
|
3 -0.0272133000 -0.0051502828
|
|
4 -0.0362343438 -0.0068573141
|
|
5 -0.0024682915 -0.0004670105
|
|
|
|
orbital 1 26 30 15.0673112480 0.0000000000
|
|
1 -0.0776384318 0.0688253080
|
|
2 0.0776386381 -0.0688259459
|
|
3 -0.0000001045 0.0000001551
|
|
4 -0.0776389879 0.0688257688
|
|
5 -0.0000001236 0.0000001527
|
|
|
|
orbital 1 26 31 17.2578563143 0.0000000000
|
|
1 -0.0430846595 -0.0539773727
|
|
2 0.0430874313 0.0539715705
|
|
3 -0.0000015049 0.0000019369
|
|
4 -0.0430914563 -0.0539712592
|
|
5 -0.0000009745 0.0000002146
|
|
|
|
orbital 1 26 32 18.8701533187 0.0000000000
|
|
1 -0.0316125928 -0.0310278876
|
|
2 -0.0202759463 -0.1023989519
|
|
3 0.0139431941 0.0136829632
|
|
4 0.0113420545 -0.0713737159
|
|
5 -0.0022726302 -0.0442446333
|
|
|
|
orbital 1 27 1 -34.3556275198 1.0000000000
|
|
1 -0.0161001744 -0.0122742606
|
|
2 -0.0160998564 -0.0122740145
|
|
3 -0.0000010445 -0.0000007918
|
|
4 -0.0160996708 -0.0122738797
|
|
5 -0.0000003990 -0.0000003046
|
|
|
|
orbital 1 27 2 -34.3552543610 1.0000000000
|
|
1 -0.0019801839 -0.0002266141
|
|
2 -0.0081585656 -0.0009334137
|
|
3 -0.0075954210 -0.0008692357
|
|
4 0.0101398143 0.0011601475
|
|
5 -0.0405154352 -0.0046354678
|
|
|
|
orbital 1 27 3 -34.3552543434 1.0000000000
|
|
1 -0.0072316528 0.0077950003
|
|
2 0.0047905364 -0.0051637949
|
|
3 -0.0277351094 0.0298956838
|
|
4 0.0024423056 -0.0026324877
|
|
5 0.0051993506 -0.0056047066
|
|
|
|
orbital 1 27 4 -29.1153378868 1.0000000000
|
|
1 0.1239807368 0.1230719280
|
|
2 0.1239807564 0.1230719455
|
|
3 0.0000000006 -0.0000000738
|
|
4 0.1239807464 0.1230719510
|
|
5 0.0000000067 0.0000000107
|
|
|
|
orbital 1 27 5 -13.7053947946 1.0000000000
|
|
1 0.0831898187 0.0625248217
|
|
2 0.0831898127 0.0625248233
|
|
3 0.0000000091 0.0000000125
|
|
4 0.0831898140 0.0625248199
|
|
5 -0.0000000057 -0.0000000037
|
|
|
|
orbital 1 27 6 -13.1555603270 1.0000000000
|
|
1 0.0656031433 -0.0522588664
|
|
2 -0.0444617989 0.0354183713
|
|
3 0.2814027289 -0.2241628377
|
|
4 -0.0211413548 0.0168404944
|
|
5 -0.0577536980 0.0460086122
|
|
|
|
orbital 1 27 7 -13.1555603140 1.0000000000
|
|
1 0.0076182795 -0.0154366023
|
|
2 0.0283350962 -0.0574186308
|
|
3 0.0326783901 -0.0662148388
|
|
4 -0.0359533805 0.0728552306
|
|
5 0.1592121247 -0.3226266782
|
|
|
|
orbital 1 27 8 -11.2535327266 1.0000000000
|
|
1 -0.0716360874 0.1874421634
|
|
2 0.0404983038 -0.1060278316
|
|
3 0.0173669144 -0.0454420639
|
|
4 0.0311377871 -0.0814143303
|
|
5 -0.0013101770 0.0034451139
|
|
|
|
orbital 1 27 9 -11.2535327241 1.0000000000
|
|
1 -0.0146461232 0.0040791084
|
|
2 -0.1600093885 0.0448600478
|
|
3 0.0035506925 -0.0009889124
|
|
4 0.1746555025 -0.0489391590
|
|
5 0.0468425279 -0.0131289301
|
|
|
|
orbital 1 27 10 -10.9104119671 1.0000000000
|
|
1 -0.0765173876 -0.0020006537
|
|
2 -0.0765173852 -0.0020006542
|
|
3 -0.0000000013 -0.0000000037
|
|
4 -0.0765173844 -0.0020006516
|
|
5 -0.0000000002 -0.0000000004
|
|
|
|
orbital 1 27 11 -1.2692127171 1.0000000000
|
|
1 0.1914004247 0.0256905770
|
|
2 0.1914004156 0.0256905794
|
|
3 -0.0000000669 -0.0000000022
|
|
4 0.1914004138 0.0256905750
|
|
5 0.0000000238 0.0000000037
|
|
|
|
orbital 1 27 12 -0.7076273133 1.0000000000
|
|
1 -0.0133490008 -0.0142498975
|
|
2 0.0459110073 0.0490086579
|
|
3 0.1149325330 0.1226890683
|
|
4 -0.0325618821 -0.0347586366
|
|
5 -0.3900784086 -0.4163961969
|
|
|
|
orbital 1 27 13 -0.7076272744 1.0000000000
|
|
1 -0.0645663618 -0.0149273763
|
|
2 0.0158079776 0.0036548786
|
|
3 0.5559038297 0.1285218207
|
|
4 0.0487586095 0.0112725568
|
|
5 0.1637932483 0.0378664757
|
|
|
|
orbital 1 27 14 -0.5032019916 1.0000000000
|
|
1 -0.3320093347 -0.0923470470
|
|
2 -0.3320092775 -0.0923470423
|
|
3 0.0000000946 0.0000000119
|
|
4 -0.3320092774 -0.0923470329
|
|
5 -0.0000000377 -0.0000000125
|
|
|
|
orbital 1 27 15 -0.2378721747 1.0000000000
|
|
1 0.4265448419 -0.2671676528
|
|
2 -0.2137963578 0.1338484786
|
|
3 0.0902809160 -0.0565477261
|
|
4 -0.2127485422 0.1333192016
|
|
5 -0.0001280414 0.0000646771
|
|
|
|
orbital 1 27 16 -0.2378721697 1.0000000000
|
|
1 -0.0006776647 -0.0000108772
|
|
2 -0.4330048044 -0.0469264897
|
|
3 -0.0001434327 -0.0000022963
|
|
4 0.4336824753 0.0469373708
|
|
5 -0.1059090338 -0.0114701480
|
|
|
|
orbital 1 27 17 2.7101360707 1.0000000000
|
|
1 0.0003059702 0.0018593148
|
|
2 -0.0032725860 -0.0198945468
|
|
3 0.0014964334 0.0090934996
|
|
4 0.0029666156 0.0180352316
|
|
5 -0.0176175892 -0.1071020430
|
|
|
|
orbital 1 27 18 2.7101360724 1.0000000000
|
|
1 0.0220002945 0.0029187094
|
|
2 -0.0093824646 -0.0012446340
|
|
3 0.1075985942 0.0142747647
|
|
4 -0.0126178303 -0.0016740754
|
|
5 0.0091356793 0.0012126106
|
|
|
|
orbital 1 27 19 3.0297424190 1.0000000000
|
|
1 -0.0000000000 0.0000000000
|
|
2 -0.0000000000 0.0000000002
|
|
3 0.0000000001 -0.0000000000
|
|
4 -0.0000000001 -0.0000000003
|
|
5 0.0000000001 -0.0000000014
|
|
|
|
orbital 1 27 20 6.4002579160 0.0027007589
|
|
1 -0.3642055242 0.0340391901
|
|
2 -0.3642104346 0.0340396490
|
|
3 -0.0000002503 0.0000000234
|
|
4 -0.3642103279 0.0340396391
|
|
5 0.0000000047 -0.0000000004
|
|
|
|
orbital 1 27 21 6.4468297556 0.0000000000
|
|
1 0.0045264029 0.0024143440
|
|
2 -0.4057949420 -0.2164373567
|
|
3 -0.0003515202 -0.0001874978
|
|
4 0.4012687109 0.2140231043
|
|
5 0.0361867762 0.0193008027
|
|
|
|
orbital 1 27 22 6.4468301630 0.0000000000
|
|
1 0.4209459742 -0.3188879574
|
|
2 -0.2069290593 0.1567591643
|
|
3 -0.0326909270 0.0247650378
|
|
4 -0.2140115135 0.1621247012
|
|
5 -0.0003175601 0.0002405777
|
|
|
|
orbital 1 27 23 9.8449521442 0.0000000000
|
|
1 0.0002233251 0.0009035371
|
|
2 0.0039184219 0.0158530963
|
|
3 0.0076123056 0.0307981625
|
|
4 -0.0041417469 -0.0167566336
|
|
5 0.1586215926 0.6417492361
|
|
|
|
orbital 1 27 24 9.8449526512 0.0000000000
|
|
1 -0.0186038001 0.0054789725
|
|
2 0.0100750961 -0.0029672015
|
|
3 -0.6341329533 0.1867573845
|
|
4 0.0085286994 -0.0025117697
|
|
5 0.0304326004 -0.0089627500
|
|
|
|
orbital 1 27 25 11.3939399398 0.0000000000
|
|
1 -0.0465423076 -0.0557281819
|
|
2 -0.0465423024 -0.0557281779
|
|
3 0.0000000018 0.0000000020
|
|
4 -0.0465423045 -0.0557281807
|
|
5 -0.0000000000 -0.0000000000
|
|
|
|
orbital 1 27 26 11.5153814288 0.0000000000
|
|
1 -0.0002622112 -0.0002811338
|
|
2 -0.0417062269 -0.0446781909
|
|
3 -0.0000041150 -0.0000044121
|
|
4 0.0419684373 0.0449593240
|
|
5 -0.0007579579 -0.0008119719
|
|
|
|
orbital 1 27 27 11.5153814471 0.0000000000
|
|
1 0.0388264074 -0.0591998592
|
|
2 -0.0195956695 0.0298783951
|
|
3 0.0006091560 -0.0009287997
|
|
4 -0.0192307280 0.0293214488
|
|
5 -0.0000033051 0.0000050434
|
|
|
|
orbital 1 27 28 12.8153679747 0.0000000000
|
|
1 0.0011721515 -0.0009603283
|
|
2 -0.0434616773 0.0355835580
|
|
3 0.0005093140 -0.0004172739
|
|
4 0.0422895253 -0.0346232292
|
|
5 -0.0215120206 0.0176124626
|
|
|
|
orbital 1 27 29 12.8153679798 0.0000000000
|
|
1 -0.0569779984 -0.0291134818
|
|
2 0.0273206120 0.0139592505
|
|
3 -0.0247576185 -0.0126501545
|
|
4 0.0296573861 0.0151542298
|
|
5 -0.0005862154 -0.0002997788
|
|
|
|
orbital 1 27 30 15.0673112509 0.0000000000
|
|
1 -0.0299291782 -0.0993418430
|
|
2 -0.0299287879 -0.0993425492
|
|
3 0.0000002127 0.0000002739
|
|
4 -0.0299293779 -0.0993440464
|
|
5 0.0000003248 0.0000004021
|
|
|
|
orbital 1 27 31 17.2578563248 0.0000000000
|
|
1 -0.0604379084 -0.0334135838
|
|
2 -0.0604411984 -0.0334141008
|
|
3 0.0000022027 -0.0000012903
|
|
4 -0.0604509617 -0.0334048306
|
|
5 0.0000024922 -0.0000024784
|
|
|
|
orbital 1 27 32 18.8701491743 0.0000000000
|
|
1 -0.0692152264 0.0542388945
|
|
2 0.0693401187 -0.0722238361
|
|
3 -0.0305249666 0.0239205522
|
|
4 -0.0001285298 0.0179839163
|
|
5 0.0176882885 -0.0229694903
|
|
|