l601.grossorbpop

Gaussian log

Table 167. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

None implementation


Table attributesTable. Template attributes

AttributeValue
source Gaussian log
idl601.grossorbpop
namel601.grossorbpop
pattern\s*Gross\sorbital\spopulations:\.*
endPattern.*\d\s*$\s*[A-Za-z].*
endPattern2~
endOffset1
repeat*
keeplast
xml:basel601.gross.orbital.pop.xml


Input. 

     Gross orbital populations:
                           1
   1 1   Cl 1S          1.99863
   2        2S          1.98689
   3        2PX         1.98804
   4        2PY         1.99106
   5        2PZ         1.99158
   6        3S          1.48016
   7        3PX         1.03096
   8        3PY         1.28678
   9        3PZ         1.28033
  10        4S          0.50076
  11        4PX         0.25858
  12        4PY         0.50140
  13        4PZ         0.59111
  14        5XX         0.01144
  15        5YY        -0.01781
  16        5ZZ        -0.01884
  17        5XY         0.01094
  18        5XZ         0.00632
  19        5YZ         0.00116
  20 2   O  1S          1.99266
  21        2S          0.92920
  22        2PX         1.14160
  23        2PY         0.78822
  24        2PZ         0.87786
  25        3S          1.08940
  26        3PX         0.66252
  27        3PY         0.33483
  28        3PZ         0.53641
  29        4XX        -0.01749
  30        4YY         0.01442
  31        4ZZ        -0.01123
  32        4XY         0.00842
  33        4XZ         0.00044
  34        4YZ         0.01066
  35 3   O  1S          1.99266
  36        2S          0.92990
  37        2PX         0.82134
  38        2PY         1.11800
  39        2PZ         0.86638
  40        3S          1.10027
  41        3PX         0.36813
  42        3PY         0.61920
  43        3PZ         0.53463
  44        4XX         0.01027
  45        4YY        -0.01545
  46        4ZZ        -0.01181
  47        4XY         0.01026
  48        4XZ         0.00988
  49        4YZ         0.00135
  50 4   O  1S          1.99267
  51        2S          0.92946
  52        2PX         0.92738
  53        2PY         1.00479
  54        2PZ         0.87388
  55        3S          1.08622
  56        3PX         0.46207
  57        3PY         0.54293
  58        3PZ         0.53610
  59        4XX        -0.00041
  60        4YY        -0.00725
  61        4ZZ        -0.01098
  62        4XY         0.01296
  63        4XZ         0.00688
  64        4YZ         0.00413
  65 5   O  1S          1.99267
  66        2S          0.92982
  67        2PX         1.14995
  68        2PY         0.78247
  69        2PZ         0.87297
  70        3S          1.08718
  71        3PX         0.66828
  72        3PY         0.33249
  73        3PZ         0.53420
  74        4XX        -0.01777
  75        4YY         0.01548
  76        4ZZ        -0.01099
  77        4XY         0.00767
  78        4XZ         0.00046
  79        4YZ         0.01059
  80 6   N  1S          1.99178
  81        2S          0.81555
  82        2PX         0.81868
  83        2PY         0.81368
  84        2PZ         0.77123
  85        3S          0.65227
  86        3PX         0.16609
  87        3PY         0.12936
  88        3PZ         0.43105
  89        4XX         0.01685
  90        4YY         0.01832
  91        4ZZ        -0.02610
  92        4XY         0.05472
  93        4XZ         0.01863
  94        4YZ         0.02273
  95 7   N  1S          1.99178
  96        2S          0.81662
  97        2PX         0.83148
  98        2PY         0.80354
  99        2PZ         0.76732
 100        3S          0.65139
 101        3PX         0.21709
 102        3PY         0.09004
 103        3PZ         0.43161
 104        4XX         0.01764
 105        4YY         0.02339
 106        4ZZ        -0.02583
 107        4XY         0.04781
 108        4XZ         0.01268
 109        4YZ         0.02848
 110 8   C  1S          1.99165
 111        2S          0.71822
 112        2PX         0.72169
 113        2PY         0.73463
 114        2PZ         0.65230
 115        3S          0.41443
 116        3PX         0.01701
 117        3PY        -0.01051
 118        3PZ         0.40202
 119        4XX         0.00443
 120        4YY         0.00391
 121        4ZZ        -0.02295
 122        4XY         0.01820
 123        4XZ         0.00617
 124        4YZ         0.00654
 125 9   C  1S          1.99165
 126        2S          0.72017
 127        2PX         0.68540
 128        2PY         0.77698
 129        2PZ         0.63998
 130        3S          0.41123
 131        3PX         0.02123
 132        3PY         0.00277
 133        3PZ         0.40457
 134        4XX         0.00830
 135        4YY         0.00223
 136        4ZZ        -0.02267
 137        4XY         0.01609
 138        4XZ         0.00620
 139        4YZ         0.00633
 140 10  C  1S          1.99180
 141        2S          0.71505
 142        2PX         0.74770
 143        2PY         0.79070
 144        2PZ         0.54190
 145        3S          0.54461
 146        3PX         0.27547
 147        3PY         0.21221
 148        3PZ         0.36502
 149        4XX         0.00122
 150        4YY         0.01165
 151        4ZZ        -0.02302
 152        4XY         0.01005
 153        4XZ         0.00667
 154        4YZ         0.00249
 155 11  C  1S          1.99180
 156        2S          0.72181
 157        2PX         0.66503
 158        2PY         0.76117
 159        2PZ         0.59344
 160        3S          0.49133
 161        3PX         0.18985
 162        3PY         0.27713
 163        3PZ         0.40571
 164        4XX         0.01054
 165        4YY         0.00469
 166        4ZZ        -0.02345
 167        4XY         0.01430
 168        4XZ         0.00788
 169        4YZ         0.00722
 170 12  C  1S          1.99177
 171        2S          0.71683
 172        2PX         0.77359
 173        2PY         0.75921
 174        2PZ         0.54025
 175        3S          0.52944
 176        3PX         0.20241
 177        3PY         0.24260
 178        3PZ         0.37652
 179        4XX         0.00573
 180        4YY         0.00515
 181        4ZZ        -0.02281
 182        4XY         0.01186
 183        4XZ         0.00378
 184        4YZ         0.00485
 185 13  C  1S          1.99173
 186        2S          0.71138
 187        2PX         0.74681
 188        2PY         0.75997
 189        2PZ         0.57869
 190        3S          0.54471
 191        3PX         0.14154
 192        3PY         0.26795
 193        3PZ         0.40312
 194        4XX        -0.00082
 195        4YY         0.01342
 196        4ZZ        -0.02307
 197        4XY         0.01086
 198        4XZ         0.00503
 199        4YZ         0.00226
 200 14  H  1S          0.50871
 201        2S          0.25231
 202 15  H  1S          0.51895
 203        2S          0.27236
 204 16  H  1S          0.52225
 205        2S          0.28189
          Condensed to atoms (all electrons):	
	

Input. 

     Gross orbital populations:
                         TOTAL     ALPHA     BETA      SPIN
   1 1   C  1S          1.99219   0.99610   0.99610   0.00000
   2        2S          0.68297   0.34147   0.34150  -0.00003
   3        2PX         0.68503   0.34292   0.34211   0.00082
   4        2PY         0.68528   0.34242   0.34287  -0.00045
   5        2PZ         0.71800   0.35904   0.35896   0.00008
   6        3S          0.58343   0.29168   0.29175  -0.00008
   7        3PX         0.25325   0.12701   0.12623   0.00078
   8        3PY         0.27660   0.13814   0.13846  -0.00031
   9        3PZ         0.31787   0.15892   0.15895  -0.00002
  10        4XX        -0.00425  -0.00210  -0.00214   0.00004
  11        4YY        -0.00752  -0.00378  -0.00375  -0.00003
  12        4ZZ        -0.00957  -0.00479  -0.00478  -0.00002
  13        4XY         0.00774   0.00387   0.00387   0.00000
  14        4XZ         0.00634   0.00317   0.00317   0.00000
  15        4YZ         0.00952   0.00480   0.00472   0.00007
  16 2   C  1S          1.99224   0.99613   0.99612   0.00001
  17        2S          0.68731   0.34407   0.34324   0.00082
  18        2PX         0.69576   0.34843   0.34733   0.00109
  19        2PY         0.69718   0.34923   0.34795   0.00128
  20        2PZ         0.71906   0.35985   0.35920   0.00065
  21        3S          0.56950   0.28458   0.28492  -0.00034
  22        3PX         0.24890   0.12360   0.12530  -0.00170
  23        3PY         0.27085   0.13564   0.13521   0.00043
  24        3PZ         0.32013   0.16007   0.16006   0.00001
  25        4XX        -0.00480  -0.00245  -0.00235  -0.00010
  26        4YY        -0.00619  -0.00304  -0.00315   0.00011
  27        4ZZ        -0.00959  -0.00482  -0.00477  -0.00005
  28        4XY         0.00777   0.00387   0.00390  -0.00003
  29        4XZ         0.00675   0.00340   0.00334   0.00006
  30        4YZ         0.00853   0.00421   0.00432  -0.00011
  31 3   C  1S          1.99247   0.99623   0.99624  -0.00001
  32        2S          0.70345   0.34880   0.35466  -0.00586
  33        2PX         0.66842   0.33118   0.33724  -0.00606
  34        2PY         0.78421   0.38715   0.39706  -0.00992
  35        2PZ         0.67006   0.32695   0.34311  -0.01616
  36        3S          0.43072   0.20794   0.22277  -0.01483
  37        3PX         0.20605   0.10514   0.10091   0.00423
  38        3PY         0.18422   0.08664   0.09759  -0.01095
  39        3PZ         0.19079   0.09284   0.09795  -0.00510
  40        4XX        -0.00504  -0.00237  -0.00267   0.00030
  41        4YY         0.00172   0.00081   0.00090  -0.00009
  42        4ZZ        -0.00463  -0.00194  -0.00269   0.00075
  43        4XY         0.01706   0.00856   0.00849   0.00007
  44        4XZ         0.02053   0.01350   0.00703   0.00647
  45        4YZ         0.01130   0.00723   0.00406   0.00317
  46 4   C  1S          1.99190   0.99586   0.99604  -0.00017
  47        2S          0.70780   0.36473   0.34307   0.02166
  48        2PX         0.72191   0.37897   0.34294   0.03603
  49        2PY         0.75572   0.38542   0.37030   0.01513
  50        2PZ         0.59998   0.53415   0.06583   0.46832
  51        3S          0.49460   0.28197   0.21263   0.06934
  52        3PX         0.18339   0.10531   0.07807   0.02724
  53        3PY         0.18595   0.10006   0.08589   0.01417
  54        3PZ         0.40345   0.34961   0.05384   0.29577
  55        4XX        -0.00181  -0.00399   0.00217  -0.00616
  56        4YY         0.00147  -0.00306   0.00453  -0.00759
  57        4ZZ        -0.02285  -0.00636  -0.01648   0.01012
  58        4XY         0.01283   0.00648   0.00634   0.00014
  59        4XZ         0.00457   0.00223   0.00234  -0.00012
  60        4YZ         0.00359   0.00185   0.00174   0.00011
  61 5   C  1S          1.99221   0.99609   0.99612  -0.00002
  62        2S          0.68523   0.34048   0.34475  -0.00428
  63        2PX         0.70146   0.34223   0.35923  -0.01699
  64        2PY         0.69467   0.34507   0.34960  -0.00453
  65        2PZ         0.70491   0.35017   0.35474  -0.00456
  66        3S          0.58108   0.28284   0.29825  -0.01541
  67        3PX         0.25009   0.11658   0.13351  -0.01693
  68        3PY         0.28354   0.13877   0.14477  -0.00600
  69        3PZ         0.31768   0.15131   0.16638  -0.01507
  70        4XX        -0.00373  -0.00204  -0.00169  -0.00034
  71        4YY        -0.00771  -0.00382  -0.00389   0.00007
  72        4ZZ        -0.01006  -0.00475  -0.00531   0.00056
  73        4XY         0.00784   0.00397   0.00387   0.00010
  74        4XZ         0.00711   0.00572   0.00138   0.00434
  75        4YZ         0.01085   0.00626   0.00459   0.00167
  76 6   C  1S          1.99219   0.99609   0.99609   0.00000
  77        2S          0.68314   0.34167   0.34147   0.00021
  78        2PX         0.69338   0.34687   0.34651   0.00037
  79        2PY         0.67555   0.33799   0.33756   0.00043
  80        2PZ         0.71931   0.36013   0.35918   0.00095
  81        3S          0.58406   0.29229   0.29177   0.00052
  82        3PX         0.29786   0.14923   0.14863   0.00060
  83        3PY         0.23249   0.11625   0.11624   0.00002
  84        3PZ         0.31646   0.15860   0.15786   0.00073
  85        4XX        -0.00918  -0.00460  -0.00458  -0.00002
  86        4YY        -0.00188  -0.00098  -0.00090  -0.00008
  87        4ZZ        -0.00905  -0.00452  -0.00453   0.00001
  88        4XY         0.00785   0.00392   0.00393  -0.00001
  89        4XZ         0.01022   0.00507   0.00515  -0.00008
  90        4YZ         0.00420   0.00212   0.00208   0.00005
  91 7   H  1S          0.53793   0.26903   0.26890   0.00013
  92        2S          0.35499   0.17749   0.17750  -0.00002
  93        3PX         0.00336   0.00169   0.00168   0.00001
  94        3PY         0.00376   0.00188   0.00188   0.00000
  95        3PZ         0.00488   0.00244   0.00244   0.00000
  96 8   H  1S          0.53757   0.26848   0.26910  -0.00062
  97        2S          0.36185   0.18095   0.18089   0.00006
  98        3PX         0.00250   0.00125   0.00125   0.00000
  99        3PY         0.00376   0.00188   0.00188   0.00000
 100        3PZ         0.00575   0.00288   0.00287   0.00001
 101 9   H  1S          0.55533   0.29406   0.26127   0.03279
 102        2S          0.35425   0.19115   0.16310   0.02806
 103        3PX         0.00330   0.00162   0.00167  -0.00005
 104        3PY         0.00322   0.00171   0.00151   0.00019
 105        3PZ         0.00659   0.00328   0.00331  -0.00003
 106 10  H  1S          0.53600   0.25951   0.27649  -0.01697
 107        2S          0.37351   0.17237   0.20114  -0.02878
 108        3PX         0.00357   0.00184   0.00173   0.00010
 109        3PY         0.00627   0.00316   0.00311   0.00006
 110        3PZ         0.00309   0.00279   0.00030   0.00248
 111 11  H  1S          0.53284   0.27987   0.25297   0.02690
 112        2S          0.35370   0.18597   0.16772   0.01825
 113        3PX         0.00320   0.00158   0.00162  -0.00004
 114        3PY         0.00381   0.00191   0.00190   0.00001
 115        3PZ         0.00507   0.00252   0.00255  -0.00004
 116 12  H  1S          0.53733   0.26843   0.26891  -0.00048
 117        2S          0.35302   0.17620   0.17682  -0.00062
 118        3PX         0.00513   0.00257   0.00256   0.00001
 119        3PY         0.00230   0.00115   0.00114   0.00001
 120        3PZ         0.00458   0.00229   0.00229   0.00000
 121 13  H  1S          0.53691   0.26831   0.26860  -0.00029
 122        2S          0.34948   0.17437   0.17510  -0.00073
 123        3PX         0.00342   0.00171   0.00171   0.00000
 124        3PY         0.00229   0.00115   0.00114   0.00001
 125        3PZ         0.00630   0.00315   0.00315   0.00001
 126 14  H  1S          0.53162   0.27940   0.25222   0.02719
 127        2S          0.34592   0.18248   0.16344   0.01904
 128        3PX         0.00251   0.00128   0.00123   0.00004
 129        3PY         0.00385   0.00193   0.00192   0.00001
 130        3PZ         0.00574   0.00282   0.00292  -0.00010
 131 15  H  1S          0.53694   0.26886   0.26809   0.00077
 132        2S          0.34947   0.17521   0.17426   0.00094
 133        3PX         0.00248   0.00124   0.00124   0.00000
 134        3PY         0.00365   0.00182   0.00183   0.00000
 135        3PZ         0.00588   0.00294   0.00294   0.00000
 136 16  H  1S          0.52866   0.26420   0.26446  -0.00026
 137        2S          0.33517   0.16710   0.16807  -0.00096
 138        3PX         0.00363   0.00181   0.00181   0.00000
 139        3PY         0.00323   0.00162   0.00161   0.00001
 140        3PZ         0.00512   0.00257   0.00256   0.00001
 141 17  O  1S          1.99253   0.99629   0.99625   0.00004
 142        2S          0.89644   0.45201   0.44443   0.00758
 143        2PX         0.81043   0.41332   0.39712   0.01620
 144        2PY         1.15079   0.58442   0.56637   0.01805
 145        2PZ         0.95674   0.49048   0.46626   0.02421
 146        3S          0.98710   0.48822   0.49888  -0.01066
 147        3PX         0.40330   0.20249   0.20081   0.00168
 148        3PY         0.75840   0.37837   0.38002  -0.00165
 149        3PZ         0.58409   0.29540   0.28869   0.00671
 150        4XX         0.00407   0.00196   0.00212  -0.00016
 151        4YY        -0.01452  -0.00738  -0.00714  -0.00023
 152        4ZZ        -0.00648  -0.00314  -0.00334   0.00020
 153        4XY         0.00247   0.00141   0.00106   0.00035
 154        4XZ         0.01011   0.00508   0.00503   0.00005
 155        4YZ         0.00271   0.00137   0.00133   0.00004
 156 18  H  1S          0.50330   0.25165   0.25165   0.00000
 157        2S          0.16800   0.08947   0.07854   0.01093
 158        3PX         0.01760   0.00886   0.00875   0.00011
 159        3PY         0.01140   0.00579   0.00561   0.00018
 160        3PZ         0.01092   0.00547   0.00545   0.00002
          Condensed to atoms (all electrons):
	

Output text. 

<comment class="example.output" id="l601.grossorbpop">
	    <module cmlx:templateRef="l601.grossorbpop">
	       <array dataType="xsd:integer" dictRef="cc:serial" size="205">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205</array>
	       <array dataType="xsd:string" delimiter="|" dictRef="x:label" size="205">1   Cl 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5XX|5YY|5ZZ|5XY|5XZ|5YZ|2   O  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|3   O  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|4   O  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|5   O  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|6   N  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|7   N  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|8   C  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|9   C  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|10  C  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|11  C  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|12  C  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|13  C  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|14  H  1S|2S|15  H  1S|2S|16  H  1S|2S</array>
	       <matrix cols="1" dataType="xsd:double" dictRef="g:totaloccup" rows="205">1.99863 1.98689 1.98804 1.99106 1.99158 1.48016 1.03096 1.28678 1.28033 0.50076 0.25858 0.50140 0.59111 0.01144 -0.01781 -0.01884 0.01094 0.00632 0.00116 1.99266 0.92920 1.14160 0.78822 0.87786 1.08940 0.66252 0.33483 0.53641 -0.01749 0.01442 -0.01123 0.00842 0.00044 0.01066 1.99266 0.92990 0.82134 1.11800 0.86638 1.10027 0.36813 0.61920 0.53463 0.01027 -0.01545 -0.01181 0.01026 0.00988 0.00135 1.99267 0.92946 0.92738 1.00479 0.87388 1.08622 0.46207 0.54293 0.53610 -0.00041 -0.00725 -0.01098 0.01296 0.00688 0.00413 1.99267 0.92982 1.14995 0.78247 0.87297 1.08718 0.66828 0.33249 0.53420 -0.01777 0.01548 -0.01099 0.00767 0.00046 0.01059 1.99178 0.81555 0.81868 0.81368 0.77123 0.65227 0.16609 0.12936 0.43105 0.01685 0.01832 -0.02610 0.05472 0.01863 0.02273 1.99178 0.81662 0.83148 0.80354 0.76732 0.65139 0.21709 0.09004 0.43161 0.01764 0.02339 -0.02583 0.04781 0.01268 0.02848 1.99165 0.71822 0.72169 0.73463 0.65230 0.41443 0.01701 -0.01051 0.40202 0.00443 0.00391 -0.02295 0.01820 0.00617 0.00654 1.99165 0.72017 0.68540 0.77698 0.63998 0.41123 0.02123 0.00277 0.40457 0.00830 0.00223 -0.02267 0.01609 0.00620 0.00633 1.99180 0.71505 0.74770 0.79070 0.54190 0.54461 0.27547 0.21221 0.36502 0.00122 0.01165 -0.02302 0.01005 0.00667 0.00249 1.99180 0.72181 0.66503 0.76117 0.59344 0.49133 0.18985 0.27713 0.40571 0.01054 0.00469 -0.02345 0.01430 0.00788 0.00722 1.99177 0.71683 0.77359 0.75921 0.54025 0.52944 0.20241 0.24260 0.37652 0.00573 0.00515 -0.02281 0.01186 0.00378 0.00485 1.99173 0.71138 0.74681 0.75997 0.57869 0.54471 0.14154 0.26795 0.40312 -0.00082 0.01342 -0.02307 0.01086 0.00503 0.00226 0.50871 0.25231 0.51895 0.27236 0.52225 0.28189</matrix>
	    </module>
	</comment>

Output text. 

<comment class="example.output2" id="l601.grossorbpop">
    	<module cmlx:templateRef="l601.grossorbpop">
        	<array dataType="xsd:integer" dictRef="cc:serial" size="160">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160</array>
          	<array dataType="xsd:string" delimiter="|" dictRef="x:label" size="160">1   C  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|2   C  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|3   C  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|4   C  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|5   C  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|6   C  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|7   H  1S|2S|3PX|3PY|3PZ|8   H  1S|2S|3PX|3PY|3PZ|9   H  1S|2S|3PX|3PY|3PZ|10  H  1S|2S|3PX|3PY|3PZ|11  H  1S|2S|3PX|3PY|3PZ|12  H  1S|2S|3PX|3PY|3PZ|13  H  1S|2S|3PX|3PY|3PZ|14  H  1S|2S|3PX|3PY|3PZ|15  H  1S|2S|3PX|3PY|3PZ|16  H  1S|2S|3PX|3PY|3PZ|17  O  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4XX|4YY|4ZZ|4XY|4XZ|4YZ|18  H  1S|2S|3PX|3PY|3PZ</array>
          	<array dataType="xsd:double" dictRef="g:totaloccup" size="160">1.99219 0.68297 0.68503 0.68528 0.71800 0.58343 0.25325 0.27660 0.31787 -0.00425 -0.00752 -0.00957 0.00774 0.00634 0.00952 1.99224 0.68731 0.69576 0.69718 0.71906 0.56950 0.24890 0.27085 0.32013 -0.00480 -0.00619 -0.00959 0.00777 0.00675 0.00853 1.99247 0.70345 0.66842 0.78421 0.67006 0.43072 0.20605 0.18422 0.19079 -0.00504 0.00172 -0.00463 0.01706 0.02053 0.01130 1.99190 0.70780 0.72191 0.75572 0.59998 0.49460 0.18339 0.18595 0.40345 -0.00181 0.00147 -0.02285 0.01283 0.00457 0.00359 1.99221 0.68523 0.70146 0.69467 0.70491 0.58108 0.25009 0.28354 0.31768 -0.00373 -0.00771 -0.01006 0.00784 0.00711 0.01085 1.99219 0.68314 0.69338 0.67555 0.71931 0.58406 0.29786 0.23249 0.31646 -0.00918 -0.00188 -0.00905 0.00785 0.01022 0.00420 0.53793 0.35499 0.00336 0.00376 0.00488 0.53757 0.36185 0.00250 0.00376 0.00575 0.55533 0.35425 0.00330 0.00322 0.00659 0.53600 0.37351 0.00357 0.00627 0.00309 0.53284 0.35370 0.00320 0.00381 0.00507 0.53733 0.35302 0.00513 0.00230 0.00458 0.53691 0.34948 0.00342 0.00229 0.00630 0.53162 0.34592 0.00251 0.00385 0.00574 0.53694 0.34947 0.00248 0.00365 0.00588 0.52866 0.33517 0.00363 0.00323 0.00512 1.99253 0.89644 0.81043 1.15079 0.95674 0.98710 0.40330 0.75840 0.58409 0.00407 -0.01452 -0.00648 0.00247 0.01011 0.00271 0.50330 0.16800 0.01760 0.01140 0.01092</array>
          	<array dataType="xsd:double" dictRef="g:alphaoccup" size="160">0.99610 0.34147 0.34292 0.34242 0.35904 0.29168 0.12701 0.13814 0.15892 -0.00210 -0.00378 -0.00479 0.00387 0.00317 0.00480 0.99613 0.34407 0.34843 0.34923 0.35985 0.28458 0.12360 0.13564 0.16007 -0.00245 -0.00304 -0.00482 0.00387 0.00340 0.00421 0.99623 0.34880 0.33118 0.38715 0.32695 0.20794 0.10514 0.08664 0.09284 -0.00237 0.00081 -0.00194 0.00856 0.01350 0.00723 0.99586 0.36473 0.37897 0.38542 0.53415 0.28197 0.10531 0.10006 0.34961 -0.00399 -0.00306 -0.00636 0.00648 0.00223 0.00185 0.99609 0.34048 0.34223 0.34507 0.35017 0.28284 0.11658 0.13877 0.15131 -0.00204 -0.00382 -0.00475 0.00397 0.00572 0.00626 0.99609 0.34167 0.34687 0.33799 0.36013 0.29229 0.14923 0.11625 0.15860 -0.00460 -0.00098 -0.00452 0.00392 0.00507 0.00212 0.26903 0.17749 0.00169 0.00188 0.00244 0.26848 0.18095 0.00125 0.00188 0.00288 0.29406 0.19115 0.00162 0.00171 0.00328 0.25951 0.17237 0.00184 0.00316 0.00279 0.27987 0.18597 0.00158 0.00191 0.00252 0.26843 0.17620 0.00257 0.00115 0.00229 0.26831 0.17437 0.00171 0.00115 0.00315 0.27940 0.18248 0.00128 0.00193 0.00282 0.26886 0.17521 0.00124 0.00182 0.00294 0.26420 0.16710 0.00181 0.00162 0.00257 0.99629 0.45201 0.41332 0.58442 0.49048 0.48822 0.20249 0.37837 0.29540 0.00196 -0.00738 -0.00314 0.00141 0.00508 0.00137 0.25165 0.08947 0.00886 0.00579 0.00547</array>
          	<array dataType="xsd:double" dictRef="g:betaoccup" size="160">0.99610 0.34150 0.34211 0.34287 0.35896 0.29175 0.12623 0.13846 0.15895 -0.00214 -0.00375 -0.00478 0.00387 0.00317 0.00472 0.99612 0.34324 0.34733 0.34795 0.35920 0.28492 0.12530 0.13521 0.16006 -0.00235 -0.00315 -0.00477 0.00390 0.00334 0.00432 0.99624 0.35466 0.33724 0.39706 0.34311 0.22277 0.10091 0.09759 0.09795 -0.00267 0.00090 -0.00269 0.00849 0.00703 0.00406 0.99604 0.34307 0.34294 0.37030 0.06583 0.21263 0.07807 0.08589 0.05384 0.00217 0.00453 -0.01648 0.00634 0.00234 0.00174 0.99612 0.34475 0.35923 0.34960 0.35474 0.29825 0.13351 0.14477 0.16638 -0.00169 -0.00389 -0.00531 0.00387 0.00138 0.00459 0.99609 0.34147 0.34651 0.33756 0.35918 0.29177 0.14863 0.11624 0.15786 -0.00458 -0.00090 -0.00453 0.00393 0.00515 0.00208 0.26890 0.17750 0.00168 0.00188 0.00244 0.26910 0.18089 0.00125 0.00188 0.00287 0.26127 0.16310 0.00167 0.00151 0.00331 0.27649 0.20114 0.00173 0.00311 0.00030 0.25297 0.16772 0.00162 0.00190 0.00255 0.26891 0.17682 0.00256 0.00114 0.00229 0.26860 0.17510 0.00171 0.00114 0.00315 0.25222 0.16344 0.00123 0.00192 0.00292 0.26809 0.17426 0.00124 0.00183 0.00294 0.26446 0.16807 0.00181 0.00161 0.00256 0.99625 0.44443 0.39712 0.56637 0.46626 0.49888 0.20081 0.38002 0.28869 0.00212 -0.00714 -0.00334 0.00106 0.00503 0.00133 0.25165 0.07854 0.00875 0.00561 0.00545</array>
          	<array dataType="xsd:double" dictRef="g:spinoccup" size="160">0.00000 -0.00003 0.00082 -0.00045 0.00008 -0.00008 0.00078 -0.00031 -0.00002 0.00004 -0.00003 -0.00002 0.00000 0.00000 0.00007 0.00001 0.00082 0.00109 0.00128 0.00065 -0.00034 -0.00170 0.00043 0.00001 -0.00010 0.00011 -0.00005 -0.00003 0.00006 -0.00011 -0.00001 -0.00586 -0.00606 -0.00992 -0.01616 -0.01483 0.00423 -0.01095 -0.00510 0.00030 -0.00009 0.00075 0.00007 0.00647 0.00317 -0.00017 0.02166 0.03603 0.01513 0.46832 0.06934 0.02724 0.01417 0.29577 -0.00616 -0.00759 0.01012 0.00014 -0.00012 0.00011 -0.00002 -0.00428 -0.01699 -0.00453 -0.00456 -0.01541 -0.01693 -0.00600 -0.01507 -0.00034 0.00007 0.00056 0.00010 0.00434 0.00167 0.00000 0.00021 0.00037 0.00043 0.00095 0.00052 0.00060 0.00002 0.00073 -0.00002 -0.00008 0.00001 -0.00001 -0.00008 0.00005 0.00013 -0.00002 0.00001 0.00000 0.00000 -0.00062 0.00006 0.00000 0.00000 0.00001 0.03279 0.02806 -0.00005 0.00019 -0.00003 -0.01697 -0.02878 0.00010 0.00006 0.00248 0.02690 0.01825 -0.00004 0.00001 -0.00004 -0.00048 -0.00062 0.00001 0.00001 0.00000 -0.00029 -0.00073 0.00000 0.00001 0.00001 0.02719 0.01904 0.00004 0.00001 -0.00010 0.00077 0.00094 0.00000 0.00000 0.00000 -0.00026 -0.00096 0.00000 0.00001 0.00001 0.00004 0.00758 0.01620 0.01805 0.02421 -0.01066 0.00168 -0.00165 0.00671 -0.00016 -0.00023 0.00020 0.00035 0.00005 0.00004 0.00000 0.01093 0.00011 0.00018 0.00002</array>                    
      	</module>
	</comment>