# Spin paramters for gfn1-xTB (units Eh)
#
#High-throughput screening of spin states for transition metal
#complexes with spin-polarized extended tight-binding methods
#Hagen Neugebauer, Benedikt Baedorf, Sebastian Ehlert, Andreas Hansen, Stefan Grimme
#J Comput Chem. 44:2120-2129 (2023)
#
# Sign change from suppl material needed!
#
# element  Wss  Wsp  Wpp  Wsd  Wpd  Wdd
1  -0.071550 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000
2  -0.614675 -0.033587 -0.125800 -0.000000 -0.000000 -0.000000
3  -0.017775 -0.013937 -0.018050 -0.000000 -0.000000 -0.000000
4  -0.022850 -0.018612 -0.017575 -0.000000 -0.000000 -0.000000
5  -0.027325 -0.022037 -0.019600 -0.000000 -0.000000 -0.000000
6  -0.030200 -0.025025 -0.022725 -0.000000 -0.000000 -0.000000
7  -0.033000 -0.027475 -0.025475 -0.000000 -0.000000 -0.000000
8  -0.035100 -0.029500 -0.027825 -0.000000 -0.000000 -0.000000
9  -0.036900 -0.031200 -0.029900 -0.000000 -0.000000 -0.000000
10 -0.055008 -0.012830 -0.022600 -0.011925 -0.016737 -0.080725
11 -0.015100 -0.013337 -0.023025 -0.000000 -0.000000 -0.000000
12 -0.016500 -0.013175 -0.017400 -0.000000 -0.000000 -0.000000
13 -0.018250 -0.013837 -0.014000 -0.008175 -0.011637 -0.012875
14 -0.019525 -0.015000 -0.014350 -0.008437 -0.011637 -0.014075
15 -0.020550 -0.016112 -0.014900 -0.009300 -0.011975 -0.014825
16 -0.021325 -0.017012 -0.015500 -0.009987 -0.012137 -0.014950
17 -0.021825 -0.017712 -0.016075 -0.010987 -0.012612 -0.015075
18 -0.342475 -0.077825 -0.120675 -0.015500 -0.023075 -0.051925
19 -0.010650 -0.010900 -0.016375 -0.000000 -0.000000 -0.000000
20 -0.011800 -0.010387 -0.013350 -0.005562 -0.003512 -0.010200
21 -0.012725 -0.010912 -0.013850 -0.004787 -0.002412 -0.012525
22 -0.013525 -0.011225 -0.014675 -0.004350 -0.001975 -0.013900
23 -0.014075 -0.011512 -0.015275 -0.004037 -0.001725 -0.014900
24 -0.015175 -0.012450 -0.021225 -0.004150 -0.001662 -0.013875
25 -0.015000 -0.011787 -0.016725 -0.003550 -0.001325 -0.016525
26 -0.015400 -0.011925 -0.017850 -0.003300 -0.001162 -0.017125
27 -0.015825 -0.012037 -0.018700 -0.003137 -0.001050 -0.017750
28 -0.016150 -0.012175 -0.019700 -0.002987 -0.000950 -0.018300
29 -0.017150 -0.013175 -0.030375 -0.002775 -0.000650 -0.017475
30 -0.016850 -0.012312 -0.021450 -0.000000 -0.000000 -0.000000
31 -0.017225 -0.012787 -0.013400 -0.008525 -0.013000 -0.015775
32 -0.017550 -0.013375 -0.013575 -0.008112 -0.012825 -0.017525
33 -0.017750 -0.013762 -0.013600 -0.007987 -0.012387 -0.017550
34 -0.017975 -0.014087 -0.013625 -0.008162 -0.011962 -0.017200
35 -0.018100 -0.014375 -0.013725 -0.008275 -0.011762 -0.016675
36 -0.299025 -0.066587 -0.101875 -0.012575 -0.021287 -0.048300
37 -0.009550 -0.009600 -0.016725 -0.000000 -0.000000 -0.000000
38 -0.010650 -0.009237 -0.012525 -0.000000 -0.000000 -0.000000
39 -0.011425 -0.009487 -0.012300 -0.006725 -0.003987 -0.009725
40 -0.011950 -0.009612 -0.013525 -0.006150 -0.003075 -0.010725
41 -0.012575 -0.010262 -0.019075 -0.006062 -0.002887 -0.010475
42 -0.012925 -0.010500 -0.022225 -0.005562 -0.002362 -0.010925
43 -0.013150 -0.010662 -0.024725 -0.005112 -0.002025 -0.011300
44 -0.013375 -0.010750 -0.027500 -0.004750 -0.001662 -0.011625
45 -0.013525 -0.010912 -0.032025 -0.004400 -0.001425 -0.011875
46 -0.018975 -0.023937 -0.180200 -0.002087 -0.001487 -0.011325
47 -0.013925 -0.011100 -0.039800 -0.003887 -0.001012 -0.012400
48 -0.013850 -0.010500 -0.019650 -0.000000 -0.000000 -0.000000
49 -0.014125 -0.010550 -0.011575 -0.005062 -0.009375 -0.010100
50 -0.014300 -0.010912 -0.011675 -0.004600 -0.009125 -0.011875
51 -0.014525 -0.011125 -0.011650 -0.004375 -0.008725 -0.012525
52 -0.014525 -0.011237 -0.011550 -0.004137 -0.008162 -0.012250
53 -0.014575 -0.011337 -0.011450 -0.004450 -0.008312 -0.012825
54 -0.255850 -0.055587 -0.085625 -0.004662 -0.013337 -0.037350
55 -0.008200 -0.008575 -0.015300 -0.000000 -0.000000 -0.000000
56 -0.009275 -0.008200 -0.011250 -0.000000 -0.000000 -0.000000
57 -0.009925 -0.008412 -0.011400 -0.005925 -0.003312 -0.009025
72 -0.012175 -0.009625 -0.012600 -0.007637 -0.004187 -0.010425
73 -0.012325 -0.009575 -0.013375 -0.007137 -0.003475 -0.010925
74 -0.012500 -0.009562 -0.014450 -0.006725 -0.002950 -0.011225
75 -0.012600 -0.009662 -0.014800 -0.006275 -0.002600 -0.011450
76 -0.012600 -0.009200 -0.020600 -0.005950 -0.002075 -0.011550
77 -0.012725 -0.009275 -0.021000 -0.005700 -0.001912 -0.011650
78 -0.013075 -0.010212 -0.033575 -0.005550 -0.001812 -0.011150
79 -0.013150 -0.009962 -0.053000 -0.005287 -0.001462 -0.011175
80 -0.013025 -0.009187 -0.029250 -0.000000 -0.000000 -0.000000
81 -0.013275 -0.009112 -0.010725 -0.000000 -0.000000 -0.000000
82 -0.013475 -0.009350 -0.010975 -0.000000 -0.000000 -0.000000
83 -0.013625 -0.009537 -0.010975 -0.000000 -0.000000 -0.000000
84 -0.013725 -0.009625 -0.010850 -0.000000 -0.000000 -0.000000
85 -0.013775 -0.009737 -0.010725 -0.002612 -0.007362 -0.011925
86 -0.254400 -0.050400 -0.080625 -0.001087 -0.011050 -0.035175
