$info
level 1
name GFN1(Si)-xTB
doi 10.1021/acs.jctc.7b00118,10.1021/acs.jcim.1c01170
$globpar
ks          1.85000
kp          2.25000
kd          2.00000
ksp         2.08000
kdiff       2.85000
enscale    -0.70000
ipeashift   1.78069
cns         0.60000
cnp        -0.30000
cnd1       -0.50000
cnd2        0.50000
alphaj      2.00000
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
  1  1   0.9600
  1  5   0.9500
  1  7   1.0400
  7 14   1.0100
  8 14   0.9689382911964309
  5 15   0.9700
  1 28   0.9000
  1 75   0.8000
  1 78   0.8000
$end
$Z= 1 Sat Nov  4 20:25:57 CET 2017  
 ao=1s2s                          
 lev=  -10.923452   -2.171902
 exp=    1.207940    1.993207
 GAM=    0.470099
 REPA=    2.209700
 REPB=    1.116244
$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 Mon Aug 22 20:58:33 CEST 2016 
 ao=2s2p                          
 lev=   -7.270105   -4.609277
 exp=    0.743881    0.541917
 GAM=    0.205342
 GAM3=    1.027370
 REPA=    0.671797
 REPB=    2.747587
 POLYS=   -4.102845
 POLYP=    9.259276
 LPARP=   -0.772012
$end
$Z= 4 Mon Aug 22 17:20:12 CEST 2016 
 ao=2s2p                          
 lev=   -9.541494   -5.812621
 exp=    0.876888    1.104598
 GAM=    0.274022
 GAM3=    0.900554
 REPA=    0.865377
 REPB=    4.076830
 POLYS=  -12.991482
 POLYP=   -1.308797
 LPARP=    1.113005
$end
$Z= 5 Thu Sep 22 13:48:45 CEST 2016 
 ao=2s2p                          
 lev=  -12.497913   -7.604923
 exp=    1.667617    1.495078
 GAM=    0.340530
 GAM3=    1.300000
 REPA=    1.093544
 REPB=    4.458376
 POLYS=   -7.088823
 POLYP=    0.655877
 LPARP=    0.165643
$end
$Z= 6 Sat Nov  4 20:25:57 CET 2017  
 ao=2s2p                          
 lev=  -13.587210  -10.052785
 exp=    1.960324    1.832096
 GAM=    0.479988
 GAM3=    1.053856
 REPA=    1.281954
 REPB=    4.428763
 POLYS=   -7.082170
 POLYP=    0.812216
 LPARP=   -0.471181
$end
$Z= 7 Sat Nov  4 20:25:57 CET 2017  
 ao=2s2p                          
 lev=  -20.058000  -12.889326
 exp=    2.050067    2.113682
 GAM=    0.476106
 GAM3=    0.042507
 REPA=    1.727773
 REPB=    5.498808
 POLYS=  -12.745585
 POLYP=   -1.428367
 LPARP=    0.315090
$end
$Z= 8 Sat Nov  4 20:25:57 CET 2017  
 ao=2s2p                          
 lev=  -23.398376  -17.886554
 exp=    2.345365    2.153060
 GAM=    0.583349
 GAM3=   -0.005102
 REPA=    2.004253
 REPB=    5.171786
 POLYS=  -13.729047
 POLYP=   -4.453341
 LPARP=    0.374608
$end
$Z= 9 Mon Aug 22 08:05:34 CEST 2016 
 ao=2s2p                          
 lev=  -24.776175  -17.274415
 exp=    2.968015    2.256959
 GAM=    0.788194
 GAM3=    1.615037
 REPA=    2.507078
 REPB=    6.931741
 POLYS=   -3.921613
 POLYP=  -11.422491
 LPARP=   -0.827352
$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 Fri Jun 16 11:28:14 CEST 2017 
 ao=3s3p                          
 lev=   -4.717569   -2.797054
 exp=    0.819143    0.628961
 GAM=    0.165908
 GAM3=    1.200000
 REPA=    0.704472
 REPB=   10.591259
 POLYS=   13.188489
 POLYP=   10.969376
 LPARP=   -3.004391
$end
$Z=12 Fri Jun 16 09:56:36 CEST 2017 
 ao=3s3p                          
 lev=   -9.970921   -2.901013
 exp=    1.271287    0.797143
 GAM=    0.354151
 GAM3=    1.100000
 REPA=    0.862629
 REPB=   15.238107
 POLYS=  -19.219408
 POLYP=   18.272922
 LPARP=    0.674819
$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 Fri Dec 10 00:00:00 CEST 2021
 ao=3s3p3d
 lev=   -20.8003154259032  -3.52640768616415  -3.32086437063174
 exp=     2.3371570152493   1.57634582523961   2.47384208842607
 EN=      2.0891926663719
 GAM=     2.2511407602094
 GAM3=    1.1249948730457
 REPA=    1.0359397134916
 REPB=   21.3569280192032
 POLYS=  14.8253087717468
 POLYP=  -0.8628847709109
 POLYD=  36.5723873489532
 LPARS=  -4.9719823924939
 LPARP=  -6.0455361603458
 LPARD=   6.0720274517897
$end
$Z=15 Mon Aug 22 14:05:50 CEST 2016 
 ao=3s3p3d                        
 lev=  -18.865587   -9.386464   -0.673989
 exp=    1.993165    1.826973    1.293345
 GAM=    0.798319
 GAM3=    1.500000
 REPA=    1.067197
 REPB=   15.249559
 POLYS=  -16.118985
 POLYP=   -2.241189
 POLYD=   30.984577
 LPARP=   -2.530875
$end
$Z=16 Mon Aug 22 10:47:45 CEST 2016 
 ao=3s3p3d                        
 lev=  -23.819013  -12.120136   -1.711261
 exp=    2.506934    1.992775    1.964867
 GAM=    0.643959
 GAM3=    1.500000
 REPA=    1.200803
 REPB=   15.100323
 POLYS=  -16.989922
 POLYP=   -6.067779
 POLYD=   16.248395
 LPARP=   -1.678147
$end
$Z=17 Mon Aug 22 08:23:38 CEST 2016 
 ao=3s3p3d                        
 lev=  -24.452163  -12.883714   -1.190095
 exp=    2.847946    2.077534    1.932463
 GAM=    0.519712
 GAM3=    1.000000
 REPA=    1.404155
 REPB=   17.000000
 POLYS=   -9.341919
 POLYP=   -8.499805
 POLYD=   13.088867
 LPARP=   -4.481841
$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 Sep  2 10:30:12 CEST 2016 
 ao=3d4s4p                        
 lev=   -7.172021   -9.632943   -0.696628
 exp=    2.200000    1.532191    1.017366
 GAM=    0.778545
 GAM3=    1.000000
 REPA=    0.841357
 REPB=   18.676202
 POLYS=    9.522966
 POLYP=   44.183320
 POLYD=  -36.027863
 LPARP=   -2.000000
 LPARD=   -5.934820
$end
$Z=22 Mon Aug 22 22:04:56 CEST 2016 
 ao=3d4s4p                        
 lev=   -7.617343   -7.948161   -0.902143
 exp=    1.941479    1.477526    1.063921
 GAM=    1.044998
 GAM3=    0.739203
 REPA=    0.828638
 REPB=   17.084130
 POLYS=   24.879987
 POLYP=   18.910954
 POLYD=  -24.908650
 LPARP=   -1.500000
 LPARD=   -7.388986
$end
$Z=23 Tue Aug 23 08:15:09 CEST 2016 
 ao=3d4s4p                        
 lev=   -6.677563   -9.000000   -0.108008
 exp=    1.812440    1.345487    1.100000
 GAM=    0.985157
 GAM3=    0.800000
 REPA=    1.061627
 REPB=   22.352532
 POLYS=   -5.301066
 POLYP=   22.945047
 POLYD=  -29.197847
 LPARP=   -2.000000
 LPARD=   -5.229338
$end
$Z=24 Wed Aug 31 19:00:08 CEST 2016 
 ao=3d4s4p                        
 lev=   -7.357172   -7.024438   -3.933133
 exp=    1.915482    1.241910    1.130000
 GAM=    0.468100
 GAM3=    0.800000
 REPA=    0.997051
 REPB=   22.873486
 POLYS=   -2.432193
 POLYP=   11.274054
 POLYD=  -22.608167
 LPARP=   -2.500000
 LPARD=    0.786859
$end
$Z=25 Wed Aug 31 20:33:25 CEST 2016 
 ao=3d4s4p                        
 lev=   -8.558648   -6.149482   -4.360801
 exp=    2.016302    1.882798    1.270000
 GAM=    0.609868
 GAM3=    0.300000
 REPA=    1.019783
 REPB=   24.160655
 POLYS=    1.025345
 POLYP=    1.834626
 POLYD=  -25.016650
 LPARP=   -2.500000
 LPARD=   10.544199
$end
$Z=26 Wed Aug 31 20:44:43 CEST 2016 
 ao=3d4s4p                        
 lev=   -9.705009   -6.617863   -4.595985
 exp=    2.264485    1.382959    1.300000
 GAM=    0.900000
 GAM3=    0.500000
 REPA=    1.137174
 REPB=   25.983149
 POLYS=   -2.182723
 POLYP=   11.769535
 POLYD=  -22.920815
 LPARP=   -2.000000
 LPARD=    1.018896
$end
$Z=27 Wed Aug 24 05:59:57 CEST 2016 
 ao=3d4s4p                        
 lev=  -10.285239   -4.593686   -3.855768
 exp=    2.279966    1.925082    1.350000
 GAM=    0.426680
 GAM3=    0.300000
 REPA=    1.188538
 REPB=   27.169215
 POLYS=    0.815250
 POLYP=   15.765732
 POLYD=  -21.678930
 LPARP=   -2.000000
 LPARD=    0.222849
$end
$Z=28 Wed Aug 31 22:12:25 CEST 2016 
 ao=3d4s4p                        
 lev=  -10.841022   -8.687611   -3.332933
 exp=    2.356745    1.532263    1.350000
 GAM=    0.367019
 GAM3=    1.000000
 REPA=    1.399197
 REPB=   23.396999
 POLYS=   15.160508
 POLYP=   15.782685
 POLYD=  -26.348820
 LPARP=   -2.000000
 LPARD=    1.282426
$end
$Z=29 Wed Aug 31 22:32:35 CEST 2016 
 ao=3d4s4p                        
 lev=  -11.114050   -8.373193   -4.419045
 exp=    2.598287    1.583677    1.350000
 GAM=    0.260192
 GAM3=    0.237602
 REPA=    1.199230
 REPB=   29.000000
 POLYS=   -3.590501
 POLYP=    7.413473
 POLYD=  -21.142399
 LPARD=   -1.290373
$end
$Z=30 Thu Sep  1 04:25:19 CEST 2016 
 ao=4s4p                          
 lev=  -11.263459   -4.666731
 exp=    1.722526    1.061945
 GAM=    0.209459
 GAM3=    1.400000
 REPA=    1.145056
 REPB=   31.185765
 POLYS=  -15.535695
 POLYP=    4.061664
 LPARP=    0.200991
$end
$Z=31 Fri Sep  2 10:14:46 CEST 2016 
 ao=4s4p4d                        
 lev=  -13.273222   -4.859478   -2.245112
 exp=    1.992354    1.482052    0.712761
 GAM=    0.193302
 GAM3=    1.400000
 REPA=    1.047536
 REPB=   33.128619
 POLYS=  -14.584657
 POLYP=    9.375082
 POLYD=   19.671655
 LPARP=   -2.021175
 LPARD=    1.000000
$end
$Z=32 Fri Sep  2 09:56:01 CEST 2016 
 ao=4s4p4d                        
 lev=  -12.558286   -8.035796   -2.752271
 exp=    2.172951    1.794495    0.769997
 GAM=    0.800000
 GAM3=    1.400000
 REPA=    1.129480
 REPB=   35.493164
 POLYS=  -12.195371
 POLYP=  -11.374296
 POLYD=    9.364108
 LPARP=   -7.631942
 LPARD=   -1.300000
$end
$Z=33 Thu Sep  1 05:11:43 CEST 2016 
 ao=4s4p4d                        
 lev=  -17.515251   -8.272706   -1.245776
 exp=    2.265106    1.986411    1.113511
 GAM=    0.732367
 GAM3=    1.300000
 REPA=    1.233641
 REPB=   36.125762
 POLYS=  -17.489686
 POLYP=   -6.747956
 POLYD=   17.858510
 LPARP=   -0.335509
 LPARD=   -1.000000
$end
$Z=34 Thu Sep  1 15:12:08 CEST 2016 
 ao=4s4p4d                        
 lev=  -23.000000  -10.398968   -0.821804
 exp=    3.044672    2.098532    1.863317
 GAM=    0.714534
 GAM3=    1.300000
 REPA=    1.270088
 REPB=   32.148852
 POLYS=  -14.852299
 POLYP=   -9.863477
 POLYD=    9.556181
 LPARP=   -3.213580
 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 Sun Aug 28 01:57:32 CEST 2016 
 ao=4d5s5p                        
 lev=   -6.771010   -3.979156   -3.954049
 exp=    2.175661    1.665905    1.230000
 GAM=    0.168219
 GAM3=    0.581478
 REPA=    0.739520
 REPB=   36.521516
 POLYS=   44.110231
 POLYP=   25.863572
 POLYD=  -22.240873
 LPARP=   -2.500000
 LPARD=    0.337914
$end
$Z=41 Thu Sep  1 17:28:28 CEST 2016 
 ao=4d5s5p                        
 lev=   -9.245726   -9.268975   -1.348707
 exp=    2.092288    1.459971    1.200000
 GAM=    0.175875
 GAM3=    0.280147
 REPA=    0.895357
 REPB=   40.803132
 POLYS=   15.379439
 POLYP=   30.159730
 POLYD=  -25.998052
 LPARP=   -2.000000
 LPARD=    0.638436
$end
$Z=42 Thu Sep  1 17:33:17 CEST 2016 
 ao=4d5s5p                        
 lev=   -8.176239   -7.645737   -3.802884
 exp=    1.891236    1.827996    1.220000
 GAM=    0.384677
 GAM3=    0.041052
 REPA=    0.944064
 REPB=   41.939347
 POLYS=    5.815301
 POLYP=   14.527159
 POLYD=  -22.556077
 LPARP=   -2.500000
 LPARD=   -3.426221
$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 Mon Aug 29 14:49:51 CEST 2016 
 ao=4d5s5p                        
 lev=  -12.059626   -5.724219   -2.575000
 exp=    2.528954    2.073217    1.550000
 GAM=    0.280766
 GAM3=    0.500000
 REPA=    1.206869
 REPB=   42.105527
 POLYS=   17.475085
 POLYP=   21.621321
 POLYD=  -23.290322
 LPARP=   -2.500000
 LPARD=    3.210802
$end
$Z=47 Thu Sep  1 18:14:42 CEST 2016 
 ao=4d5s5p                        
 lev=   -9.675945   -5.723081   -3.273430
 exp=    2.720329    1.994885    1.620000
 GAM=    0.472978
 GAM3=   -0.445675
 REPA=    1.058886
 REPB=   43.201446
 POLYS=  -12.856324
 POLYP=    0.187155
 POLYD=   -6.963262
 LPARP=   -1.500000
 LPARD=   -1.477715
$end
$Z=48 Thu Sep  1 18:24:25 CEST 2016 
 ao=5s5p                          
 lev=  -12.099216   -3.859493
 exp=    1.980518    1.191810
 GAM=    0.130828
 GAM3=    1.362587
 REPA=    1.026434
 REPB=   49.016827
 POLYS=  -10.281188
 POLYP=    6.247124
 LPARP=   -0.775216
$end
$Z=49 Thu Sep  1 19:21:53 CEST 2016 
 ao=5s5p5d                        
 lev=  -16.894094   -3.502771   -3.650350
 exp=    2.226101    1.625926    0.663076
 GAM=    0.132120
 GAM3=    1.063557
 REPA=    0.898148
 REPB=   51.718417
 POLYS=  -10.488459
 POLYP=   19.136222
 POLYD=    5.584366
 LPARP=    0.762515
$end
$Z=50 Sun Sep  1 18:10:35 CEST 2016 
 ao=5s5p5d                        
 lev=  -24.164818   -7.640096   -1.908531
 exp=    2.474055    1.893755    1.547485
 GAM=    0.480655
 GAM3=   -0.321283
 REPA=    1.008192
 REPB=   54.503455
 POLYS=  -19.310676
 POLYP=   -5.460959
 POLYD=   10.683419
 LPARP=   -3.444851
 LPARD=   -1.500000
$end
$Z=51 Thu Sep  1 22:28:28 CEST 2016 
 ao=5s5p5d                        
 lev=  -20.650528   -7.536020   -2.185884
 exp=    2.761687    2.076379    1.071094
 GAM=    0.564406
 GAM3=   -0.341503
 REPA=    0.982673
 REPB=   50.757213
 POLYS=  -17.310388
 POLYP=   -7.203718
 POLYD=   10.096015
 LPARP=   -1.459812
 LPARD=   -2.000000
$end
$Z=52 Thu Sep  1 22:53:11 CEST 2016 
 ao=5s5p5d                        
 lev=  -29.899753  -10.026096   -0.372055
 exp=    2.880945    2.254863    1.724516
 GAM=    0.400301
 GAM3=    0.894388
 REPA=    0.973410
 REPB=   49.215262
 POLYS=  -17.836704
 POLYP=   -9.887978
 POLYD=   20.942979
 LPARP=    0.137154
 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 Tue Aug 30 04:10:19 CEST 2016 
 ao=5d6s6p                        
 lev=   -4.360558   -5.910623   -2.814338
 exp=    2.466693    2.039390    1.450000
 GAM=    0.269977
 GAM3=    0.847011
 REPA=    0.853744
 REPB=   55.222897
 POLYS=   15.014122
 POLYP=   22.898249
 POLYD=  -21.116286
 LPARP=   -1.500000
 LPARD=   -1.485678
$end
$Z=73 Tue Aug 30 16:41:19 CEST 2016 
 ao=5d6s6p                        
 lev=   -9.232014   -8.600553   -0.252865
 exp=    2.177327    1.692963    1.400000
 GAM=    0.239696
 GAM3=    0.064592
 REPA=    0.971873
 REPB=   63.743065
 POLYS=   29.782424
 POLYP=   36.420564
 POLYD=  -23.077812
 LPARP=   -1.500000
 LPARD=   -1.870583
$end
$Z=74 Tue Aug 30 17:50:56 CEST 2016 
 ao=5d6s6p                        
 lev=   -8.997799   -2.878936   -3.369287
 exp=    2.300752    2.096013    1.400000
 GAM=    0.243663
 GAM3=   -0.014599
 REPA=    0.992643
 REPB=   74.000000
 POLYS=   35.195571
 POLYP=   18.760746
 POLYD=  -17.030630
 LPARP=   -1.500000
 LPARD=    0.130920
$end
$Z=75 Tue Aug 30 17:58:56 CEST 2016 
 ao=5d6s6p                        
 lev=   -7.858164   -6.430285   -5.165147
 exp=    2.470782    2.220548    1.450000
 GAM=    0.362512
 GAM3=    0.300000
 REPA=    1.132106
 REPB=   75.000000
 POLYS=   23.560994
 POLYP=   -0.067497
 POLYD=  -23.115824
 LPARP=   -2.000000
 LPARD=    2.507095
$end
$Z=76 Tue Aug 30 18:12:17 CEST 2016 
 ao=5d6s6p                        
 lev=  -10.716969   -3.655133   -7.060522
 exp=    2.734340    2.365840    1.650000
 GAM=    0.354318
 GAM3=   -0.170295
 REPA=    1.118216
 REPB=   76.000000
 POLYS=   24.928002
 POLYP=   -4.330556
 POLYD=  -19.564083
 LPARP=   -1.000000
 LPARD=   -0.262294
$end
$Z=77 Tue Aug 30 19:00:14 CEST 2016 
 ao=5d6s6p                        
 lev=  -12.054598   -5.686006   -6.208990
 exp=    2.797508    2.274300    1.650000
 GAM=    0.290898
 GAM3=    0.965726
 REPA=    1.245003
 REPB=   77.000000
 POLYS=   25.774929
 POLYP=   -0.704597
 POLYD=  -21.172493
 LPARP=   -1.500000
 LPARD=    3.805255
$end
$Z=78 Wed Aug 31 01:41:36 CEST 2016 
 ao=5d6s6p                        
 lev=  -11.571582   -7.184794   -5.080419
 exp=    2.807068    2.341428    1.650000
 GAM=    0.370447
 GAM3=    1.092759
 REPA=    1.304590
 REPB=   78.000000
 POLYS=   38.415536
 POLYP=   -0.665483
 POLYD=  -22.169385
 LPARP=   -2.000000
 LPARD=    0.996400
$end
$Z=79 Tue Aug 30 21:57:24 CEST 2016 
 ao=5d6s6p                        
 lev=  -10.047575   -6.530840   -3.296026
 exp=    3.117733    2.325119    1.750000
 GAM=    0.496380
 GAM3=    0.123512
 REPA=    1.293034
 REPB=   79.000000
 POLYS=  -11.443658
 POLYP=   -5.119735
 POLYD=  -11.067532
 LPARP=   -1.500000
 LPARD=   -4.380921
$end
$Z=80 Tue Aug 30 21:59:42 CEST 2016 
 ao=6s6p                          
 lev=  -12.452637   -4.169731
 exp=    2.062597    1.721925
 GAM=    0.334997
 GAM3=   -0.267745
 REPA=    1.181865
 REPB=   80.000000
 POLYS=   -6.581368
 POLYP=    3.995243
 LPARP=   -4.204099
$end
$Z=81 Tue Aug 30 22:14:23 CEST 2016 
 ao=6s6p                          
 lev=  -12.563376   -5.131043
 exp=    2.647541    1.717991
 GAM=    0.671316
 GAM3=    0.936157
 REPA=    0.976397
 REPB=   81.000000
 POLYS=   -2.193199
 POLYP=    0.060451
 LPARP=   -8.101017
$end
$Z=82 Wed Aug 31 00:32:19 CEST 2016 
 ao=6s6p                          
 lev=  -14.496335   -5.848584
 exp=    2.847707    2.068091
 GAM=    1.000000
 GAM3=    1.500000
 REPA=    0.988859
 REPB=   79.578302
 POLYS=  -10.874138
 POLYP=   -6.034796
 LPARP=   -7.925216
$end
$Z=83 Wed Aug 31 00:39:42 CEST 2016 
 ao=6s6p                          
 lev=  -18.199529   -6.735929
 exp=    2.895660    2.256279
 GAM=    0.944879
 GAM3=    0.877488
 REPA=    1.047194
 REPB=   83.000000
 POLYS=  -20.410234
 POLYP=   -9.424568
 LPARP=   -7.150589
$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
