# 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     -0.0716250   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   
  2     -0.0865500  -0.0386630  -0.0674250   0.0000000   0.0000000   0.0000000   
  3     -0.0178000  -0.0139500  -0.0180500   0.0000000   0.0000000   0.0000000   
  4     -0.0229750  -0.0186250  -0.0175750   0.0000000   0.0000000   0.0000000   
  5     -0.0272500  -0.0219370  -0.0195750   0.0000000   0.0000000   0.0000000   
  6     -0.0305000  -0.0250250  -0.0226750   0.0000000   0.0000000   0.0000000   
  7     -0.0330750  -0.0275000  -0.0254500   0.0000000   0.0000000   0.0000000   
  8     -0.0350750  -0.0295380  -0.0278500   0.0000000   0.0000000   0.0000000   
  9     -0.0369000  -0.0311870  -0.0299250   0.0000000   0.0000000   0.0000000   
 10     -0.0383000  -0.0326250  -0.0317250  -0.0141250  -0.0152500  -0.0413500   
 11     -0.0150750  -0.0133370  -0.0229250   0.0000000   0.0000000   0.0000000   
 12     -0.0165000  -0.0130750  -0.0175000  -0.0093750  -0.0179630  -0.0223500   
 13     -0.0182500  -0.0138380  -0.0139750  -0.0082250  -0.0117000  -0.0129000   
 14     -0.0195250  -0.0150000  -0.0143750  -0.0084500  -0.0116120  -0.0140000   
 15     -0.0205750  -0.0161250  -0.0149000  -0.0093000  -0.0119870  -0.0148250   
 16     -0.0213250  -0.0170130  -0.0155000  -0.0100370  -0.0121750  -0.0149500   
 17     -0.0217500  -0.0177130  -0.0160500  -0.0109750  -0.0126620  -0.0150750   
 18     -0.0221500  -0.0183630  -0.0165500  -0.0118870  -0.0131130  -0.0153000   
 19     -0.0106500  -0.0109000  -0.0164750   0.0000000   0.0000000   0.0000000   
 20     -0.0118000  -0.0104500  -0.0134500  -0.0055000  -0.0035130  -0.0101750   
 21     -0.0127250  -0.0108620  -0.0138500  -0.0047880  -0.0024130  -0.0125250   
 22     -0.0134250  -0.0112380  -0.0146500  -0.0043380  -0.0019750  -0.0138750   
 23     -0.0140750  -0.0114630  -0.0152750  -0.0040500  -0.0017250  -0.0149250   
 24     -0.0144750  -0.0116120  -0.0160000  -0.0037250  -0.0014630  -0.0157750   
 25     -0.0149000  -0.0118000  -0.0167250  -0.0034870  -0.0013120  -0.0165000   
 26     -0.0154000  -0.0120250  -0.0177500  -0.0032880  -0.0011630  -0.0171250   
 27     -0.0157000  -0.0120250  -0.0187000  -0.0031500  -0.0010250  -0.0177500   
 28     -0.0161500  -0.0122000  -0.0197000  -0.0030370  -0.0009130  -0.0183000   
 29     -0.0166500  -0.0123500  -0.0203000  -0.0028250  -0.0008620  -0.0188250   
 30     -0.0168500  -0.0123250  -0.0214500   0.0000000   0.0000000   0.0000000   
 31     -0.0172250  -0.0128120  -0.0134000  -0.0085250  -0.0130000  -0.0157750   
 32     -0.0174500  -0.0133500  -0.0135500  -0.0081120  -0.0128130  -0.0175250   
 33     -0.0178750  -0.0137630  -0.0135750  -0.0080500  -0.0123250  -0.0176500   
 34     -0.0180000  -0.0141250  -0.0136250  -0.0081500  -0.0120130  -0.0172000   
 35     -0.0181000  -0.0143750  -0.0136750  -0.0082750  -0.0117500  -0.0167750   
 36     -0.0181250  -0.0145500  -0.0137000  -0.0086880  -0.0118000  -0.0164250   
 37     -0.0095500  -0.0096000  -0.0167250   0.0000000   0.0000000   0.0000000   
 38     -0.0105750  -0.0092870  -0.0125500  -0.0074000  -0.0059000  -0.0079500   
 39     -0.0115000  -0.0098250  -0.0136000  -0.0072880  -0.0046250  -0.0090000   
 40     -0.0121500  -0.0099880  -0.0162250  -0.0066250  -0.0036250  -0.0098750   
 41     -0.0125750  -0.0102620  -0.0191750  -0.0060630  -0.0029250  -0.0104750   
 42     -0.0129000  -0.0105000  -0.0222250  -0.0055750  -0.0024250  -0.0109000   
 43     -0.0131250  -0.0106250  -0.0247250  -0.0051250  -0.0020120  -0.0113000   
 44     -0.0133500  -0.0107620  -0.0276000  -0.0047370  -0.0016750  -0.0116000   
 45     -0.0135500  -0.0108380  -0.0320500  -0.0043750  -0.0014250  -0.0118750   
 46     -0.0136500  -0.0109440  -0.0287000  -0.0041250  -0.0012880  -0.0121250   
 47     -0.0139250  -0.0110500  -0.0241750  -0.0038870  -0.0009630  -0.0124000   
 48     -0.0138500  -0.0105000  -0.0196500   0.0000000   0.0000000   0.0000000   
 49     -0.0142250  -0.0105500  -0.0115750  -0.0050370  -0.0093750  -0.0100000   
 50     -0.0143000  -0.0108750  -0.0116750  -0.0046880  -0.0090750  -0.0118750   
 51     -0.0145250  -0.0111250  -0.0116250  -0.0043750  -0.0087130  -0.0124250   
 52     -0.0145250  -0.0112500  -0.0115750  -0.0041870  -0.0081750  -0.0121750   
 53     -0.0146500  -0.0113870  -0.0114750  -0.0044620  -0.0083620  -0.0128250   
 54     -0.0146500  -0.0114250  -0.0114500  -0.0048750  -0.0085750  -0.0132000   
 55     -0.0082000  -0.0085880  -0.0153000   0.0000000   0.0000000   0.0000000   
 56     -0.0092500  -0.0083000  -0.0113750  -0.0063870  -0.0042250  -0.0079250   
 57     -0.0099000  -0.0084250  -0.0114000  -0.0059370  -0.0033750  -0.0090250   
 58     -0.0881750  -0.0066380  -0.0019250  -0.0017000  -0.0017000  -0.0234250   
 59     -0.0890750  -0.0065000  -0.0009500  -0.0015370  -0.0017370  -0.0237000   
 60     -0.0901000  -0.0063750  -0.0000750  -0.0014630  -0.0016250  -0.0230250   
 61     -0.0908000  -0.0064880   0.0004500  -0.0013000  -0.0016500  -0.0226250   
 62     -0.0918250  -0.0065380   0.0014000  -0.0012750  -0.0017250  -0.0222250   
 63     -0.0922250  -0.0065380   0.0017250  -0.0012000  -0.0018000  -0.0218250   
 64     -0.0928812  -0.0065798   0.0024101  -0.0011021  -0.0016846  -0.0209135   
 65     -0.0936096  -0.0066189   0.0030779  -0.0010125  -0.0016808  -0.0201625   
 66     -0.0943380  -0.0066581   0.0037457  -0.0009229  -0.0016769  -0.0194115   
 67     -0.0951750  -0.0067500   0.0042250  -0.0008380  -0.0016250  -0.0190000   
 68     -0.0956500  -0.0067250   0.0040000  -0.0007370  -0.0007630  -0.0176000   
 69     -0.0963500  -0.0067370   0.0044000  -0.0006750  -0.0007065  -0.0160000   
 70     -0.0958500  -0.0066500   0.0024000  -0.0007500  -0.0008000  -0.0175500   
 71     -0.1086250  -0.0079000   0.0063250  -0.0047000  -0.0007120  -0.0269000   
 72     -0.0121750  -0.0096750  -0.0126250  -0.0076250  -0.0041130  -0.0104250   
 73     -0.0123000  -0.0095750  -0.0134000  -0.0071380  -0.0034630  -0.0109250   
 74     -0.0125000  -0.0094620  -0.0144500  -0.0066880  -0.0029130  -0.0112500   
 75     -0.0126000  -0.0093310  -0.0148000  -0.0063000  -0.0026130  -0.0114500   
 76     -0.0127000  -0.0092000  -0.0205750  -0.0059380  -0.0021120  -0.0115500   
 77     -0.0127500  -0.0092750  -0.0209250  -0.0056880  -0.0019120  -0.0116000   
 78     -0.0127500  -0.0092250  -0.0222500  -0.0054370  -0.0017870  -0.0117000   
 79     -0.0129000  -0.0089380  -0.0257625  -0.0052500  -0.0015000  -0.0117750   
 80     -0.0129250  -0.0091870  -0.0292750   0.0000000   0.0000000   0.0000000   
 81     -0.0133500  -0.0091120  -0.0107250   0.0000000   0.0000000   0.0000000   
 82     -0.0135750  -0.0094250  -0.0110000   0.0000000   0.0000000   0.0000000   
 83     -0.0136750  -0.0095380  -0.0109500   0.0000000   0.0000000   0.0000000   
 84     -0.0137500  -0.0096380  -0.0108500   0.0000000   0.0000000   0.0000000   
 85     -0.0137750  -0.0096750  -0.0107250  -0.0026000  -0.0073630  -0.0119000   
 86     -0.0139000  -0.0097380  -0.0106500  -0.0028750  -0.0078120  -0.0130000   
