$info
level 1
name IPEA-xTB
doi 10.1039/c7sc00601b
$globpar
ks          2.15000
kp          2.30000
kd          2.00000
ksp         2.25000
kdiff       2.25000
enscale    -0.70000
ipeashift   1.78069
cns         1.00000
cnp        -0.30000
cnd1       -0.50000
cnd2        0.50000
alphaj      1.00000
a1          0.63000
a2          5.00000
s8          2.40000
s9          0.00000
kexp        1.50000
kexplight   1.50000
xbdamp      0.44000
xbrad       1.30000
$end
$pairpar
$end
$Z= 1 Thu Sep 22 23:34:11 CEST 2016 
 ao=1s2s                          
 lev=  -10.521941   -3.560151
 exp=    1.306199    0.398421
 GAM=    0.404839
 GAM3=    1.500000
 REPA=    2.133166
 REPB=    1.292559
$end
$Z= 2 Mon Aug 22 21:05:21 CEST 2016 
 ao=1s                            
 lev=  -22.121015
 exp=    2.133698
 GAM=    1.441379
 GAM3=    1.500000
 REPA=    1.382907
 REPB=    0.440231
 POLYS=    8.084149
$end
$Z= 3 Tue Apr  4 11:10:31 CEST 2017 
 ao=2s2p                          
 lev=   -6.778577   -3.316533
 exp=    0.675700    0.643466
 GAM=    0.196176
 GAM3=    1.846487
 REPA=    0.630666
 REPB=    2.747587
 POLYS=  -13.007335
 POLYP=    6.802043
 LPARP=   -2.241991
$end
$Z= 4 Fri Sep 23 11:17:08 CEST 2016 
 ao=2s2p                          
 lev=   -9.155548   -6.934385
 exp=    0.976724    1.325974
 GAM=    0.315230
 GAM3=    1.500000
 REPA=    0.830517
 REPB=    4.557601
 POLYS=  -22.404993
 POLYP=   -6.611030
 LPARP=   -0.053663
$end
$Z= 5 Fri Sep 23 10:45:35 CEST 2016 
 ao=2s2p3S                        
 lev=  -12.479504   -7.044782   -4.032136
 exp=    1.426737    1.472693    1.157688
 GAM=    0.608113
 GAM3=    0.500000
 REPA=    1.066430
 REPB=    5.255954
 POLYS=   -5.397599
 POLYP=   14.708712
 LPARP=   -2.662342
$end
$Z= 6 Thu Sep 22 23:34:11 CEST 2016 
 ao=2s2p3S                        
 lev=  -15.968100   -9.777107   -3.366990
 exp=    1.979793    1.850537    0.633095
 GAM=    0.639692
 GAM3=    1.500000
 REPA=    1.206815
 REPB=    4.427268
 POLYS=   -2.692247
 POLYP=    8.177943
 LPARP=   -0.273283
$end
$Z= 7 Thu Sep 22 23:34:11 CEST 2016 
 ao=2s2p3S                        
 lev=  -24.040776  -14.426520   -5.882278
 exp=    2.126160    2.068425    0.671040
 GAM=    0.492599
 GAM3=   -1.000000
 REPA=    1.622255
 REPB=    5.500005
 POLYS=  -10.560649
 POLYP=    0.940101
 LPARP=    0.701245
$end
$Z= 8 Thu Sep 22 23:34:11 CEST 2016 
 ao=2s2p3S                        
 lev=  -26.695120  -16.014457   -6.622058
 exp=    2.575264    2.159448    0.958679
 GAM=    0.717333
 GAM3=   -2.000000
 REPA=    2.002624
 REPB=    5.178714
 POLYS=   -9.907396
 POLYP=    3.920125
 LPARP=   -2.619316
$end
$Z= 9 Tue Jan 17 20:22:52 CET 2017  
 ao=2s2p3S                        
 lev=  -27.565998  -17.439238   -6.120500
 exp=    2.304073    2.314354    0.570243
 GAM=    0.574104
 GAM3=    2.000000
 REPA=    2.538852
 REPB=    7.370899
 POLYS=  -11.637428
 POLYP=   -9.003663
 LPARP=    0.808738
$end
$Z=10 Wed Aug 31 17:29:03 CEST 2016 
 ao=2s2p3d                        
 lev=  -31.167487  -18.268975    1.487984
 exp=    3.200000    2.294365    2.684436
 GAM=    0.612878
 GAM3=    1.600000
 REPA=    3.038727
 REPB=    9.102523
 POLYS=   -2.115896
 POLYP=  -15.124326
 LPARP=   -3.892542
$end
$Z=11 Mon Aug 22 16:58:35 CEST 2016 
 ao=2s2p                          
 lev=   -5.425941   -2.970587
 exp=    0.566702    0.391147
 GAM=    0.146475
 GAM3=    1.200000
 REPA=    0.678744
 REPB=    9.192606
 POLYS=    7.549004
 POLYP=   13.576090
 LPARP=   -4.545627
$end
$Z=12 Wed Aug 31 17:56:48 CEST 2016 
 ao=2s2p                          
 lev=  -10.585393   -2.983087
 exp=    0.947394    0.538324
 GAM=    0.332890
 GAM3=    1.100000
 REPA=    0.796201
 REPB=   12.176772
 POLYS=  -18.095421
 POLYP=   21.451533
 LPARP=    1.823758
$end
$Z=13 Mon Aug 22 15:20:00 CEST 2016 
 ao=3s3p3d                        
 lev=  -12.916245   -3.441043   -1.751415
 exp=    1.497753    1.232966    0.606937
 GAM=    0.221658
 GAM3=    1.200000
 REPA=    0.929219
 REPB=   16.283595
 POLYS=  -21.085827
 POLYP=   24.805127
 POLYD=   26.405814
 LPARP=    0.503564
$end
$Z=14 Thu Aug 25 05:54:29 CEST 2016 
 ao=3s3p3d                        
 lev=  -14.506128   -7.557337   -2.508113
 exp=    1.521960    1.609138    1.168971
 GAM=    0.438331
 GAM3=    1.500000
 REPA=    0.948165
 REPB=   16.898359
 POLYS=  -14.201582
 POLYP=   -3.893343
 POLYD=   25.499221
 LPARP=   -5.925834
$end
$Z=15 Thu Jan 19 19:22:57 CET 2017  
 ao=3s3p3d                        
 lev=  -16.954206   -9.866726   -0.997152
 exp=    2.002025    1.791833    1.327886
 GAM=    0.637801
 GAM3=    1.616190
 REPA=    1.047895
 REPB=   16.296596
 POLYS=  -20.056162
 POLYP=   -7.612324
 POLYD=   27.896649
 LPARP=   -3.150116
$end
$Z=16 Tue Jan 17 20:57:36 CET 2017  
 ao=3s3p3d                        
 lev=  -24.488821  -12.136640   -1.796070
 exp=    2.492075    1.997904    1.747541
 GAM=    0.455078
 GAM3=    1.020159
 REPA=    1.170894
 REPB=   15.831707
 POLYS=  -20.287694
 POLYP=   -7.124132
 POLYD=   17.511019
 LPARP=   -1.956114
$end
$Z=17 Tue Jan 17 19:45:33 CET 2017  
 ao=3s3p3d                        
 lev=  -24.452163  -13.465451   -1.836065
 exp=    2.559226    2.054846    1.762522
 GAM=    0.559471
 GAM3=    2.395510
 REPA=    1.404155
 REPB=   17.000000
 POLYS=   -9.341919
 POLYP=  -12.605796
 POLYD=   14.905217
 LPARP=   -3.994898
$end
$Z=18 Wed Aug 31 18:08:34 CEST 2016 
 ao=3s3p3d                        
 lev=  -31.395427  -17.412901   -1.119399
 exp=    3.502323    2.287983    1.761181
 GAM=    0.529906
 GAM3=    0.829312
 REPA=    1.323756
 REPB=   17.153132
 POLYS=   -0.082808
 POLYP=   -9.217948
 POLYD=   12.204172
 LPARP=   -1.450000
$end
$Z=19 Wed Aug 31 18:13:39 CEST 2016 
 ao=4s4p                          
 lev=   -5.815562   -3.747255
 exp=    0.841791    0.771618
 GAM=    0.114358
 GAM3=    0.732923
 REPA=    0.581529
 REPB=   20.831436
 POLYS=   12.482844
 POLYP=   22.323655
 LPARP=   -5.332978
$end
$Z=20 Wed Aug 31 18:20:07 CEST 2016 
 ao=4s4p3d                        
 lev=   -7.979180   -2.517008   -2.752355
 exp=    1.321845    0.734954    0.947032
 GAM=    0.134187
 GAM3=    1.116963
 REPA=    0.665588
 REPB=   19.840212
 POLYS=  -11.421376
 POLYP=   14.628284
 POLYD=   10.129602
 LPARP=   11.522018
$end
$Z=21 Fri May  5 14:03:11 CEST 2017 
 ao=3d4s4p                        
 lev=   -6.601089   -3.541803   -1.687209
 exp=    1.510174    1.278989    0.873934
 GAM=    0.897973
 GAM3=   -1.784792
 REPA=    0.760117
 REPB=   23.231297
 POLYS=   12.477046
 POLYP=   46.956747
 POLYD=  -10.433716
 LPARP=   -2.000000
 LPARD=   -6.976887
$end
$Z=22 Mon Apr 24 11:25:44 CEST 2017 
 ao=3d4s4p                        
 lev=   -6.171156   -4.647280   -0.606001
 exp=    1.526221    1.746162    0.810143
 GAM=    1.678103
 GAM3=   -0.000358
 REPA=    0.817434
 REPB=   15.054336
 POLYS=    8.253155
 POLYP=   30.482831
 POLYD=  -18.082141
 LPARP=   -1.500000
 LPARD=   -7.677638
$end
$Z=23 Tue May 30 10:28:26 CEST 2017 
 ao=3d4s4p                        
 lev=   -6.314200  -12.834159    0.035792
 exp=    1.706872    1.520194    1.100000
 GAM=    1.094925
 GAM3=    0.800000
 REPA=    1.067056
 REPB=   21.158314
 POLYS=  -15.627155
 POLYP=   21.787754
 POLYD=  -23.674752
 LPARP=   -2.000000
 LPARD=   -5.176731
$end
$Z=24 Fri May 26 13:13:00 CEST 2017 
 ao=3d4s4p                        
 lev=   -8.095169   -6.662737   -2.647661
 exp=    1.860646    1.214281    1.130000
 GAM=    0.317872
 GAM3=    0.800000
 REPA=    0.984779
 REPB=   22.335723
 POLYS=    7.351214
 POLYP=   18.517229
 POLYD=  -16.744068
 LPARP=   -2.500000
 LPARD=    6.084446
$end
$Z=25 Fri May 26 15:40:37 CEST 2017 
 ao=3d4s4p                        
 lev=   -6.756964   -6.497660   -4.391631
 exp=    1.735856    1.025035    1.270000
 GAM=    0.231875
 GAM3=    0.300000
 REPA=    1.034098
 REPB=   21.161245
 POLYS=    4.364955
 POLYP=    9.242032
 POLYD=  -16.231235
 LPARP=   -2.500000
 LPARD=   12.062125
$end
$Z=26 Thu Jun  1 14:23:29 CEST 2017 
 ao=3d4s4p                        
 lev=   -8.609628   -6.896217   -6.443170
 exp=    2.164423    1.738248    1.300000
 GAM=    0.900000
 GAM3=    0.500000
 REPA=    1.136974
 REPB=   24.885518
 POLYS=  -10.476481
 POLYP=   11.176576
 POLYD=  -22.084984
 LPARP=   -2.000000
 LPARD=   -3.348701
$end
$Z=27 Tue Jun  6 13:36:36 CEST 2017 
 ao=3d4s4p                        
 lev=   -8.957293   -5.330498   -3.914720
 exp=    2.205668    1.091436    1.350000
 GAM=    0.213854
 GAM3=    0.300000
 REPA=    1.202626
 REPB=   25.477503
 POLYS=    4.121503
 POLYP=   14.917653
 POLYD=  -20.140234
 LPARP=   -2.000000
 LPARD=    3.750103
$end
$Z=28 Fri Jun  9 14:12:38 CEST 2017 
 ao=3d4s4p                        
 lev=   -9.491654   -6.891146   -3.002778
 exp=    2.226169    1.315045    1.350000
 GAM=    0.257961
 GAM3=    1.000000
 REPA=    1.405045
 REPB=   17.151988
 POLYS=   10.160508
 POLYP=   12.528539
 POLYD=  -20.892120
 LPARP=   -2.000000
 LPARD=    2.009132
$end
$Z=29 Tue Jun 13 13:43:59 CEST 2017 
 ao=3d4s4p                        
 lev=  -11.157415   -8.659820   -4.486136
 exp=    2.386767    1.388075    1.350000
 GAM=    0.232867
 GAM3=    0.920598
 REPA=    1.224139
 REPB=   24.562118
 POLYS=   -8.590501
 POLYP=    7.141500
 POLYD=  -15.142399
 LPARD=   -1.582039
$end
$Z=30 Fri Jun 16 16:16:25 CEST 2017 
 ao=4s4p                          
 lev=   -9.538781   -4.393779
 exp=    1.739691    1.291181
 GAM=    0.384579
 GAM3=    1.400000
 REPA=    1.093312
 REPB=   35.552646
 POLYS=  -20.097296
 POLYP=   -0.515231
 LPARP=   -1.515628
$end
$Z=31 Fri Feb  3 16:19:29 CET 2017  
 ao=4s4p4d                        
 lev=  -14.013394   -5.616872   -2.437453
 exp=    2.025803    1.524895    0.524764
 GAM=    0.351929
 GAM3=    1.400000
 REPA=    0.982124
 REPB=   36.575935
 POLYS=   -9.919005
 POLYP=   10.598388
 POLYD=   19.671655
 LPARP=   -3.894500
 LPARD=    1.000000
$end
$Z=32 Thu Apr 13 13:11:55 CEST 2017 
 ao=4s4p4d                        
 lev=  -15.795287  -10.050005   -4.221097
 exp=    2.516954    1.671762    0.799301
 GAM=    0.878878
 GAM3=    1.400000
 REPA=    1.076416
 REPB=   39.096346
 POLYS=  -18.139462
 POLYP=   -6.247789
 POLYD=   19.611782
 LPARP=   -6.463392
 LPARD=   -1.300000
$end
$Z=33 Tue Jan 24 20:58:40 CET 2017  
 ao=4s4p4d                        
 lev=  -21.397516   -9.716689   -2.252045
 exp=    2.478788    1.905779    1.176250
 GAM=    0.417457
 GAM3=    1.300000
 REPA=    1.227794
 REPB=   38.315669
 POLYS=  -17.489686
 POLYP=  -10.836128
 POLYD=   17.626604
 LPARP=   -0.758566
 LPARD=   -1.000000
$end
$Z=34 Mon Jan 23 10:29:23 CET 2017  
 ao=4s4p4d                        
 lev=  -23.000000  -11.353754   -0.978922
 exp=    2.998140    2.073392    1.745074
 GAM=    0.546433
 GAM3=    1.799283
 REPA=    1.229699
 REPB=   34.959310
 POLYS=  -17.147845
 POLYP=  -11.828189
 POLYD=   15.353343
 LPARP=   -4.319966
 LPARD=   -2.500000
$end
$Z=35 Mon Aug 22 11:29:28 CEST 2016 
 ao=4s4p4d                        
 lev=  -19.875752  -12.818655   -3.348113
 exp=    2.886237    2.190987    1.789395
 GAM=    0.732530
 GAM3=   -0.500000
 CXB=    0.381742
 REPA=    1.153580
 REPB=   35.000000
 POLYS=  -17.815502
 POLYP=  -14.058044
 POLYD=    5.468245
 LPARP=   -1.440020
 LPARD=   -1.000000
$end
$Z=36 Thu Sep  1 15:19:47 CEST 2016 
 ao=4s4p4d                        
 lev=  -20.280017  -15.200155   -4.253986
 exp=    2.828105    1.965472    1.512609
 GAM=    0.820312
 GAM3=    1.000000
 REPA=    1.335287
 REPB=   36.000000
 POLYS=  -25.437273
 POLYP=  -12.813227
 POLYD=   10.440712
 LPARP=   -3.743296
$end
$Z=37 Sat Aug 27 04:24:34 CEST 2016 
 ao=5s5p                          
 lev=   -7.616948   -4.369842
 exp=    0.809529    0.950253
 GAM=    0.075735
 GAM3=    1.500000
 REPA=    0.554032
 REPB=   39.653032
 POLYS=   -7.450752
 POLYP=   16.670533
 LPARP=   -5.181667
$end
$Z=38 Thu Sep  1 17:15:37 CEST 2016 
 ao=5s5p4d                        
 lev=   -6.840171   -3.338573   -1.715680
 exp=    1.458742    0.730658    1.028147
 GAM=    0.122861
 GAM3=    1.300000
 REPA=    0.657904
 REPB=   38.924904
 POLYS=   -6.087125
 POLYP=    2.115262
 POLYD=   17.076466
 LPARP=   -8.003590
$end
$Z=39 Thu Sep  1 17:20:03 CEST 2016 
 ao=4d5s5p                        
 lev=   -5.731066   -8.748292   -0.838555
 exp=    2.300000    1.593058    1.170000
 GAM=    0.351290
 GAM3=    1.400000
 REPA=    0.760144
 REPB=   39.000000
 POLYS=   10.950764
 POLYP=   45.679760
 POLYD=  -28.061976
 LPARP=   -0.800000
 LPARD=   -4.159186
$end
$Z=40 Fri Jun 23 15:49:33 CEST 2017 
 ao=4d5s5p                        
 lev=   -5.698303   -2.340849   -5.079938
 exp=    1.787871    1.411952    1.230000
 GAM=    0.176042
 GAM3=    0.460210
 REPA=    0.709735
 REPB=   37.288814
 POLYS=   30.048862
 POLYP=   24.685487
 POLYD=  -14.065000
 LPARP=   -2.500000
 LPARD=    3.471956
$end
$Z=41 Tue Jun 27 10:40:20 CEST 2017 
 ao=4d5s5p                        
 lev=   -7.621949   -6.455094   -2.522398
 exp=    1.552976    1.475705    1.200000
 GAM=    0.180389
 GAM3=    0.212639
 REPA=    0.909696
 REPB=   35.440124
 POLYS=   15.379439
 POLYP=   31.393684
 POLYD=  -25.998052
 LPARP=   -2.000000
 LPARD=    9.898269
$end
$Z=42 Fri Jun 30 14:09:58 CEST 2017 
 ao=4d5s5p                        
 lev=   -7.338804   -7.762642   -3.971551
 exp=    1.765483    1.920748    1.220000
 GAM=    0.392238
 GAM3=   -0.335700
 REPA=    0.961038
 REPB=   38.163829
 POLYS=    5.815301
 POLYP=   20.432554
 POLYD=  -18.092116
 LPARP=   -2.500000
 LPARD=   -2.957569
$end
$Z=43 Sun Aug 28 04:51:04 CEST 2016 
 ao=4d5s5p                        
 lev=   -8.690050   -5.089073   -4.878724
 exp=    2.120497    1.789115    1.250000
 GAM=    0.405474
 GAM3=    0.500000
 REPA=    1.028240
 REPB=   43.000000
 POLYS=   24.977603
 POLYP=    1.953838
 POLYD=  -23.231470
 LPARP=   -2.000000
 LPARD=    2.642680
$end
$Z=44 Thu Sep  1 17:52:27 CEST 2016 
 ao=4d5s5p                        
 lev=  -10.960165   -6.304229   -5.569969
 exp=    2.352683    1.883645    1.370000
 GAM=    0.305394
 GAM3=    0.001205
 REPA=    1.066144
 REPB=   44.492732
 POLYS=   15.281981
 POLYP=    1.340798
 POLYD=  -23.099524
 LPARP=   -1.500000
 LPARD=    1.772831
$end
$Z=45 Thu Sep  1 17:58:03 CEST 2016 
 ao=4d5s5p                        
 lev=  -11.935915   -4.883179   -4.427854
 exp=    2.436353    2.000000    1.470000
 GAM=    0.293973
 GAM3=    0.622690
 REPA=    1.131380
 REPB=   45.241537
 POLYS=   10.450086
 POLYP=   15.559547
 POLYD=  -23.540560
 LPARP=   -2.500000
 LPARD=    3.782936
$end
$Z=46 Fri Jul  7 13:08:45 CEST 2017 
 ao=4d5s5p                        
 lev=  -11.057352   -5.667970   -3.149700
 exp=    2.380741    1.984859    1.550000
 GAM=    0.311234
 GAM3=    0.500000
 REPA=    1.226066
 REPB=   41.939426
 POLYS=   10.407257
 POLYP=   16.980983
 POLYD=  -17.752834
 LPARP=   -2.500000
 LPARD=    2.865563
$end
$Z=47 Tue Jul 11 09:49:53 CEST 2017 
 ao=4d5s5p                        
 lev=   -9.967352   -5.974518   -3.478715
 exp=    2.644658    2.056123    1.620000
 GAM=    0.440109
 GAM3=    0.021628
 REPA=    1.029976
 REPB=   47.198422
 POLYS=  -12.856324
 POLYP=   -2.440401
 POLYD=   -1.478311
 LPARP=   -1.500000
 LPARD=   -1.981564
$end
$Z=48 Tue Aug 15 12:30:18 CEST 2017 
 ao=5s5p                          
 lev=   -9.271670   -3.857452
 exp=    1.961223    1.409748
 GAM=    0.332147
 GAM3=    1.362587
 REPA=    0.928849
 REPB=   49.016827
 POLYS=  -17.616123
 POLYP=    6.247124
 LPARP=   -3.010874
$end
$Z=49 Fri Feb 10 15:15:10 CET 2017  
 ao=5s5p5d                        
 lev=  -14.755266   -4.611036   -4.455688
 exp=    2.217568    1.536904    0.880728
 GAM=    0.285832
 GAM3=    1.063557
 REPA=    0.822482
 REPB=   51.718417
 POLYS=  -10.488459
 POLYP=   13.780348
 POLYD=    5.584366
 LPARP=   -3.631014
$end
$Z=50 Fri Feb 17 19:03:59 CET 2017  
 ao=5s5p5d                        
 lev=  -22.241945   -7.801265   -3.306963
 exp=    2.443152    1.782901    0.936038
 GAM=    0.372861
 GAM3=    1.746331
 REPA=    0.954713
 REPB=   54.503455
 POLYS=  -14.906472
 POLYP=   -2.497008
 POLYD=   10.683419
 LPARP=   -3.294996
 LPARD=   -1.500000
$end
$Z=51 Thu Apr 13 13:43:55 CEST 2017 
 ao=5s5p5d                        
 lev=  -19.959912   -7.703762   -2.025267
 exp=    2.687886    2.003834    1.078859
 GAM=    0.535840
 GAM3=   -0.678152
 REPA=    0.976956
 REPB=   52.995653
 POLYS=  -15.500737
 POLYP=   -8.070432
 POLYD=    5.919672
 LPARP=   -1.806602
 LPARD=   -2.000000
$end
$Z=52 Fri Feb 10 12:59:42 CET 2017  
 ao=5s5p5d                        
 lev=  -27.798530  -10.496142   -1.080464
 exp=    2.873897    2.169037    1.511922
 GAM=    0.283009
 GAM3=    1.387384
 REPA=    0.954405
 REPB=   50.537298
 POLYS=  -17.920966
 POLYP=  -11.924030
 POLYD=   25.088164
 LPARP=   -1.102393
 LPARD=   -2.000000
$end
$Z=53 Mon Aug 22 12:51:49 CEST 2016 
 ao=5s5p5d                        
 lev=  -23.832631  -11.604442   -2.025327
 exp=    3.117622    2.248195    1.831809
 GAM=    0.520472
 GAM3=   -0.500000
 CXB=    0.321944
 REPA=    0.949181
 REPB=   53.000000
 POLYS=  -21.954071
 POLYP=  -10.823970
 POLYD=   12.522287
 LPARP=   -0.387987
 LPARD=   -1.500000
$end
$Z=54 Mon Aug 29 22:22:12 CEST 2016 
 ao=5s5p5d                        
 lev=  -21.969064  -11.870978   -2.697796
 exp=    3.128524    2.316580    1.888452
 GAM=    0.935394
 GAM3=   -0.800000
 REPA=    1.074785
 REPB=   52.500985
 POLYS=  -22.530281
 POLYP=  -16.667114
 POLYD=    8.021956
 LPARP=   -3.435282
 LPARD=   -1.500000
$end
$Z=55 Thu Sep  1 23:00:45 CEST 2016 
 ao=5s5p                          
 lev=   -6.341379   -3.944275
 exp=    0.779877    0.810404
 GAM=    0.085110
 GAM3=    1.500000
 REPA=    0.579919
 REPB=   65.029838
 POLYS=   -1.460631
 POLYP=   15.879494
 LPARP=   -7.035550
$end
$Z=56 Thu Sep  1 23:06:30 CEST 2016 
 ao=5s5p4d                        
 lev=   -6.452630   -3.975353   -2.305768
 exp=    1.387083    0.532658    0.853415
 GAM=    0.137819
 GAM3=    1.500000
 REPA=    0.606485
 REPB=   46.532974
 POLYS=   -5.468018
 POLYP=    4.368854
 POLYD=   14.328052
 LPARP=   -8.801363
$end
$Z=57 Tue Aug 30 00:04:23 CEST 2016 
 ao=5d6s6p                        
 lev=   -5.872226   -6.500000   -0.727921
 exp=    3.000000    1.492677    1.350000
 GAM=    0.495969
 GAM3=    1.500000
 REPA=    1.311200
 REPB=   48.337542
 POLYS=   -3.988102
 POLYP=   40.847293
 POLYD=  -44.208463
 LPARP=   -1.500000
 LPARD=   -6.396752
$end
$Z=58 Tue Aug 30 10:12:13 CEST 2016 
 ao=5d6s6p                        
 lev=   -5.032003   -6.275363    0.291196
 exp=    3.000000    1.553483    1.380859
 GAM=    0.350000
 GAM3=    1.200000
 REPA=    0.839861
 REPB=   30.638143
 POLYS=    6.148475
 POLYP=   42.873822
 POLYD=  -36.440945
 LPARP=   -1.500000
 LPARD=   -5.245538
$end
$Z=59 Mon Aug  1 19:25:34 CEST 2016 
 ao=5d6s6p                        
 lev=   -4.944984   -6.271128    0.241817
 exp=    2.992307    1.578839    1.385620
 GAM=    0.342306
 GAM3=    1.200000
 REPA=    0.847281
 REPB=   34.130718
 POLYS=    7.806576
 POLYP=   42.846148
 POLYD=  -36.021673
 LPARP=   -1.500000
 LPARD=   -5.064761
$end
$Z=60 Mon Aug  1 19:25:34 CEST 2016 
 ao=5d6s6p                        
 lev=   -4.857964   -6.266893    0.192438
 exp=    2.984614    1.604196    1.390381
 GAM=    0.334612
 GAM3=    1.200000
 REPA=    0.854701
 REPB=   37.623294
 POLYS=    9.464678
 POLYP=   42.818474
 POLYD=  -35.602402
 LPARP=   -1.500000
 LPARD=   -4.883984
$end
$Z=61 Mon Aug  1 19:25:34 CEST 2016 
 ao=5d6s6p                        
 lev=   -4.770945   -6.262657    0.143059
 exp=    2.976922    1.629552    1.395142
 GAM=    0.326917
 GAM3=    1.200000
 REPA=    0.862121
 REPB=   41.115870
 POLYS=   11.122779
 POLYP=   42.790801
 POLYD=  -35.183130
 LPARP=   -1.500000
 LPARD=   -4.703207
$end
$Z=62 Mon Aug  1 19:25:34 CEST 2016 
 ao=5d6s6p                        
 lev=   -4.683925   -6.258422    0.093680
 exp=    2.969229    1.654909    1.399903
 GAM=    0.319223
 GAM3=    1.200000
 REPA=    0.869541
 REPB=   44.608445
 POLYS=   12.780881
 POLYP=   42.763127
 POLYD=  -34.763859
 LPARP=   -1.500000
 LPARD=   -4.522429
$end
$Z=63 Mon Aug  1 19:25:34 CEST 2016 
 ao=5d6s6p                        
 lev=   -4.596906   -6.254187    0.044301
 exp=    2.961536    1.680265    1.404664
 GAM=    0.311529
 GAM3=    1.200000
 REPA=    0.876961
 REPB=   48.101021
 POLYS=   14.438982
 POLYP=   42.735454
 POLYD=  -34.344587
 LPARP=   -1.500000
 LPARD=   -4.341652
$end
$Z=64 Mon Aug  1 19:25:34 CEST 2016 
 ao=5d6s6p                        
 lev=   -4.509886   -6.249952   -0.005078
 exp=    2.953843    1.705622    1.409425
 GAM=    0.303835
 GAM3=    1.200000
 REPA=    0.884381
 REPB=   51.593596
 POLYS=   16.097083
 POLYP=   42.707780
 POLYD=  -33.925315
 LPARP=   -1.500000
 LPARD=   -4.160875
$end
$Z=65 Mon Aug  1 19:25:34 CEST 2016 
 ao=5d6s6p                        
 lev=   -4.422867   -6.245716   -0.054457
 exp=    2.946150    1.730979    1.414186
 GAM=    0.296140
 GAM3=    1.200000
 REPA=    0.891801
 REPB=   55.086172
 POLYS=   17.755185
 POLYP=   42.680106
 POLYD=  -33.506044
 LPARP=   -1.500000
 LPARD=   -3.980098
$end
$Z=66 Mon Aug  1 19:25:34 CEST 2016 
 ao=5d6s6p                        
 lev=   -4.335848   -6.241481   -0.103836
 exp=    2.938457    1.756335    1.418947
 GAM=    0.288446
 GAM3=    1.200000
 REPA=    0.899221
 REPB=   58.578748
 POLYS=   19.413286
 POLYP=   42.652433
 POLYD=  -33.086772
 LPARP=   -1.500000
 LPARD=   -3.799321
$end
$Z=67 Mon Aug  1 19:25:34 CEST 2016 
 ao=5d6s6p                        
 lev=   -4.248828   -6.237246   -0.153215
 exp=    2.930765    1.781692    1.423708
 GAM=    0.280752
 GAM3=    1.200000
 REPA=    0.906641
 REPB=   62.071323
 POLYS=   21.071387
 POLYP=   42.624759
 POLYD=  -32.667501
 LPARP=   -1.500000
 LPARD=   -3.618544
$end
$Z=68 Mon Aug  1 19:25:34 CEST 2016 
 ao=5d6s6p                        
 lev=   -4.161809   -6.233011   -0.202593
 exp=    2.923072    1.807048    1.428469
 GAM=    0.273058
 GAM3=    1.200000
 REPA=    0.914061
 REPB=   65.563899
 POLYS=   22.729489
 POLYP=   42.597085
 POLYD=  -32.248229
 LPARP=   -1.500000
 LPARD=   -3.437767
$end
$Z=69 Mon Aug  1 19:25:34 CEST 2016 
 ao=5d6s6p                        
 lev=   -4.074789   -6.228775   -0.251972
 exp=    2.915379    1.832405    1.433230
 GAM=    0.265364
 GAM3=    1.200000
 REPA=    0.921481
 REPB=   69.056474
 POLYS=   24.387590
 POLYP=   42.569412
 POLYD=  -31.828957
 LPARP=   -1.500000
 LPARD=   -3.256989
$end
$Z=70 Mon Aug  1 19:25:34 CEST 2016 
 ao=5d6s6p                        
 lev=   -3.987770   -6.224540   -0.301351
 exp=    2.907686    1.857761    1.437991
 GAM=    0.257669
 GAM3=    1.200000
 REPA=    0.928901
 REPB=   72.549050
 POLYS=   26.045692
 POLYP=   42.541738
 POLYD=  -31.409686
 LPARP=   -1.500000
 LPARD=   -3.076212
$end
$Z=71 Tue Aug 30 10:12:13 CEST 2016 
 ao=5d6s6p                        
 lev=   -3.900750   -6.220305   -0.350730
 exp=    2.899993    1.883118    1.442752
 GAM=    0.249975
 GAM3=    1.200000
 REPA=    0.936321
 REPB=   76.041625
 POLYS=   27.703793
 POLYP=   42.514065
 POLYD=  -30.990414
 LPARP=   -1.500000
 LPARD=   -2.895435
$end
$Z=72 Mon Jul 24 19:29:12 CEST 2017 
 ao=5d6s6p                        
 lev=   -3.817190   -4.131659   -2.759205
 exp=    2.433439    1.918710    1.450000
 GAM=    0.280206
 GAM3=    0.436362
 REPA=    0.831440
 REPB=   55.350542
 POLYS=   15.014122
 POLYP=   25.669742
 POLYD=  -20.141582
 LPARP=   -1.500000
 LPARD=    0.920885
$end
$Z=73 Thu Jul 27 20:48:48 CEST 2017 
 ao=5d6s6p                        
 lev=   -9.232014   -8.600553   -1.266176
 exp=    1.747032    1.980803    1.400000
 GAM=    0.209307
 GAM3=   -0.294270
 REPA=    1.001602
 REPB=   50.858491
 POLYS=   29.782424
 POLYP=   38.084212
 POLYD=  -23.077812
 LPARP=   -1.500000
 LPARD=    5.567170
$end
$Z=74 Thu Jul 27 21:51:37 CEST 2017 
 ao=5d6s6p                        
 lev=   -7.943440   -2.878936   -2.606135
 exp=    2.151802    1.685637    1.400000
 GAM=    0.298893
 GAM3=    0.139734
 REPA=    1.054268
 REPB=   74.000000
 POLYS=   35.195571
 POLYP=   21.973526
 POLYD=  -12.013846
 LPARP=   -1.500000
 LPARD=    2.658721
$end
$Z=75 Thu Aug 10 15:43:44 CEST 2017 
 ao=5d6s6p                        
 lev=   -7.620328   -8.366866   -7.118201
 exp=    2.127769    1.886445    1.450000
 GAM=    0.192431
 GAM3=    0.300000
 REPA=    1.295110
 REPB=   75.000000
 POLYS=   17.414335
 POLYP=   -0.067497
 POLYD=  -23.115824
 LPARP=   -2.000000
 LPARD=    1.569632
$end
$Z=76 Thu Aug 10 17:23:17 CEST 2017 
 ao=5d6s6p                        
 lev=  -10.102898   -3.655133   -7.060522
 exp=    2.607119    1.940513    1.650000
 GAM=    1.511128
 GAM3=   -0.170295
 REPA=    1.163798
 REPB=   76.000000
 POLYS=   28.734400
 POLYP=   -0.984767
 POLYD=  -15.758126
 LPARP=   -1.000000
 LPARD=   -1.931486
$end
$Z=77 Sun Aug 13 22:14:41 CEST 2017 
 ao=5d6s6p                        
 lev=  -11.130049   -5.401042   -6.032947
 exp=    2.636374    2.145197    1.650000
 GAM=    0.391625
 GAM3=   -1.130878
 REPA=    1.280092
 REPB=   77.000000
 POLYS=   25.774929
 POLYP=    1.135126
 POLYD=  -17.060525
 LPARP=   -1.500000
 LPARD=    7.240972
$end
$Z=78 Sun Aug 13 22:59:17 CEST 2017 
 ao=5d6s6p                        
 lev=  -11.750154   -5.493306   -4.896782
 exp=    2.622072    2.341428    1.650000
 GAM=    0.306418
 GAM3=    0.291755
 REPA=    1.356651
 REPB=   78.000000
 POLYS=   38.415536
 POLYP=    5.655587
 POLYD=  -17.070367
 LPARP=   -2.000000
 LPARD=    0.257168
$end
$Z=79 Mon Aug 14 16:11:59 CEST 2017 
 ao=5d6s6p                        
 lev=  -10.306258   -7.467067   -3.211351
 exp=    3.093746    2.050985    1.750000
 GAM=    0.430317
 GAM3=    2.232497
 REPA=    1.464120
 REPB=   79.000000
 POLYS=  -20.627998
 POLYP=    0.482588
 POLYD=  -13.276408
 LPARP=   -1.500000
 LPARD=   -3.868172
$end
$Z=80 Tue Aug 15 10:43:57 CEST 2017 
 ao=6s6p                          
 lev=  -11.634473   -4.320883
 exp=    2.012351    1.773458
 GAM=    0.335841
 GAM3=   -0.040460
 REPA=    1.147709
 REPB=   80.000000
 POLYS=  -11.990346
 POLYP=    2.697576
 LPARP=   -4.553637
$end
$Z=81 Fri Feb 17 19:40:09 CET 2017  
 ao=6s6p                          
 lev=  -10.454936   -5.031237
 exp=    2.607880    1.680493
 GAM=    0.672340
 GAM3=    0.992527
 REPA=    0.959310
 REPB=   84.050696
 POLYS=   -1.275250
 POLYP=   -1.152862
 LPARP=   -7.973634
$end
$Z=82 Thu Apr 13 11:38:20 CEST 2017 
 ao=6s6p                          
 lev=   -8.264605   -6.658984
 exp=    2.817165    1.919947
 GAM=    1.000000
 GAM3=    1.500000
 REPA=    0.975700
 REPB=  101.661715
 POLYS=   -6.987542
 POLYP=   -6.568936
 LPARP=   -8.045028
$end
$Z=83 Tue Apr  4 10:27:40 CEST 2017 
 ao=6s6p                          
 lev=  -18.199529   -8.408056
 exp=    2.998330    2.249513
 GAM=    1.081470
 GAM3=    1.179183
 REPA=    0.952375
 REPB=   83.000000
 POLYS=  -28.955169
 POLYP=  -13.130855
 LPARP=   -6.727954
$end
$Z=84 Wed Aug 31 00:47:41 CEST 2016 
 ao=6s6p5d                        
 lev=  -23.908422   -8.889548   -0.921251
 exp=    3.150662    2.382063    1.241625
 GAM=    1.091248
 GAM3=   -0.035874
 REPA=    1.013118
 REPB=   84.000000
 POLYS=  -18.477865
 POLYP=  -14.037423
 POLYD=   13.809093
 LPARP=   -3.955914
$end
$Z=85 Wed Aug 31 00:56:17 CEST 2016 
 ao=6s6p5d                        
 lev=  -21.752193  -10.031093   -0.852571
 exp=    3.516922    2.392024    1.380239
 GAM=    1.264162
 GAM3=   -0.860502
 CXB=    0.220000
 REPA=    0.964652
 REPB=   85.000000
 POLYS=  -21.965390
 POLYP=  -12.804436
 POLYD=   16.836546
 LPARP=   -3.402676
$end
$Z=86 Wed Aug 31 00:56:17 CEST 2016 
 ao=6s6p5d                        
 lev=  -18.381647  -10.236606   -0.973687
 exp=    3.520683    2.535389    1.418875
 GAM=    0.798170
 GAM3=   -0.838429
 REPA=    0.998641
 REPB=   86.000000
 POLYS=  -22.139701
 POLYP=  -20.539955
 POLYD=   17.249637
 LPARP=   -2.380762
$end
