[Molden Format]
[ATOMS] AU
 O     1    8        3.0844549048       -0.5799597309       -0.0108903263
 N     2    7        1.1680045359        0.6918702113        0.0286745669
 H     3    1        1.6950092980        2.6130714776       -0.1494003647
 O     4    8       -4.2138092761       -0.1903994056       -0.0047998264
[GTO]
   1   0
 s   10 1.00
  0.1172000000D+05  0.7100000000D-03
  0.1759000000D+04  0.5470000000D-02
  0.4008000000D+03  0.2783700000D-01
  0.1137000000D+03  0.1048000000D+00
  0.3703000000D+02  0.2830620000D+00
  0.1327000000D+02  0.4487190000D+00
  0.5025000000D+01  0.2709520000D+00
  0.1013000000D+01  0.1545800000D-01
  0.3023000000D+00 -0.2585000000D-02
  0.7896000000D-01  0.0000000000D+00
 s   10 1.00
  0.1172000000D+05 -0.1600000000D-03
  0.1759000000D+04 -0.1263000000D-02
  0.4008000000D+03 -0.6267000000D-02
  0.1137000000D+03 -0.2571600000D-01
  0.3703000000D+02 -0.7092400000D-01
  0.1327000000D+02 -0.1654110000D+00
  0.5025000000D+01 -0.1169550000D+00
  0.1013000000D+01  0.5573680000D+00
  0.3023000000D+00  0.5727590000D+00
  0.7896000000D-01  0.0000000000D+00
 s   10 1.00
  0.1172000000D+05  0.0000000000D+00
  0.1759000000D+04  0.0000000000D+00
  0.4008000000D+03  0.0000000000D+00
  0.1137000000D+03  0.0000000000D+00
  0.3703000000D+02  0.0000000000D+00
  0.1327000000D+02  0.0000000000D+00
  0.5025000000D+01  0.0000000000D+00
  0.1013000000D+01  0.0000000000D+00
  0.3023000000D+00  0.1000000000D+01
  0.7896000000D-01  0.0000000000D+00
 s   10 1.00
  0.1172000000D+05  0.0000000000D+00
  0.1759000000D+04  0.0000000000D+00
  0.4008000000D+03  0.0000000000D+00
  0.1137000000D+03  0.0000000000D+00
  0.3703000000D+02  0.0000000000D+00
  0.1327000000D+02  0.0000000000D+00
  0.5025000000D+01  0.0000000000D+00
  0.1013000000D+01  0.0000000000D+00
  0.3023000000D+00  0.0000000000D+00
  0.7896000000D-01  0.1000000000D+01
 p    5 1.00
  0.1770000000D+02  0.4301800000D-01
  0.3854000000D+01  0.2289130000D+00
  0.1046000000D+01  0.5087280000D+00
  0.2753000000D+00  0.4605310000D+00
  0.6856000000D-01  0.0000000000D+00
 p    5 1.00
  0.1770000000D+02  0.0000000000D+00
  0.3854000000D+01  0.0000000000D+00
  0.1046000000D+01  0.0000000000D+00
  0.2753000000D+00  0.1000000000D+01
  0.6856000000D-01  0.0000000000D+00
 p    5 1.00
  0.1770000000D+02  0.0000000000D+00
  0.3854000000D+01  0.0000000000D+00
  0.1046000000D+01  0.0000000000D+00
  0.2753000000D+00  0.0000000000D+00
  0.6856000000D-01  0.1000000000D+01
 d    2 1.00
  0.1185000000D+01  0.1000000000D+01
  0.3320000000D+00  0.0000000000D+00
 d    2 1.00
  0.1185000000D+01  0.0000000000D+00
  0.3320000000D+00  0.1000000000D+01
 
   2   0
 s   10 1.00
  0.9046000000D+04  0.7000000000D-03
  0.1357000000D+04  0.5389000000D-02
  0.3093000000D+03  0.2740600000D-01
  0.8773000000D+02  0.1032070000D+00
  0.2856000000D+02  0.2787230000D+00
  0.1021000000D+02  0.4485400000D+00
  0.3838000000D+01  0.2782380000D+00
  0.7466000000D+00  0.1544000000D-01
  0.2248000000D+00 -0.2864000000D-02
  0.6124000000D-01  0.0000000000D+00
 s   10 1.00
  0.9046000000D+04 -0.1530000000D-03
  0.1357000000D+04 -0.1208000000D-02
  0.3093000000D+03 -0.5992000000D-02
  0.8773000000D+02 -0.2454400000D-01
  0.2856000000D+02 -0.6745900000D-01
  0.1021000000D+02 -0.1580780000D+00
  0.3838000000D+01 -0.1218310000D+00
  0.7466000000D+00  0.5490030000D+00
  0.2248000000D+00  0.5788150000D+00
  0.6124000000D-01  0.0000000000D+00
 s   10 1.00
  0.9046000000D+04  0.0000000000D+00
  0.1357000000D+04  0.0000000000D+00
  0.3093000000D+03  0.0000000000D+00
  0.8773000000D+02  0.0000000000D+00
  0.2856000000D+02  0.0000000000D+00
  0.1021000000D+02  0.0000000000D+00
  0.3838000000D+01  0.0000000000D+00
  0.7466000000D+00  0.0000000000D+00
  0.2248000000D+00  0.1000000000D+01
  0.6124000000D-01  0.0000000000D+00
 s   10 1.00
  0.9046000000D+04  0.0000000000D+00
  0.1357000000D+04  0.0000000000D+00
  0.3093000000D+03  0.0000000000D+00
  0.8773000000D+02  0.0000000000D+00
  0.2856000000D+02  0.0000000000D+00
  0.1021000000D+02  0.0000000000D+00
  0.3838000000D+01  0.0000000000D+00
  0.7466000000D+00  0.0000000000D+00
  0.2248000000D+00  0.0000000000D+00
  0.6124000000D-01  0.1000000000D+01
 p    5 1.00
  0.1355000000D+02  0.3991900000D-01
  0.2917000000D+01  0.2171690000D+00
  0.7973000000D+00  0.5103190000D+00
  0.2185000000D+00  0.4622140000D+00
  0.5611000000D-01  0.0000000000D+00
 p    5 1.00
  0.1355000000D+02  0.0000000000D+00
  0.2917000000D+01  0.0000000000D+00
  0.7973000000D+00  0.0000000000D+00
  0.2185000000D+00  0.1000000000D+01
  0.5611000000D-01  0.0000000000D+00
 p    5 1.00
  0.1355000000D+02  0.0000000000D+00
  0.2917000000D+01  0.0000000000D+00
  0.7973000000D+00  0.0000000000D+00
  0.2185000000D+00  0.0000000000D+00
  0.5611000000D-01  0.1000000000D+01
 d    2 1.00
  0.8170000000D+00  0.1000000000D+01
  0.2300000000D+00  0.0000000000D+00
 d    2 1.00
  0.8170000000D+00  0.0000000000D+00
  0.2300000000D+00  0.1000000000D+01
 
   3   0
 s    5 1.00
  0.1301000000D+02  0.1968500000D-01
  0.1962000000D+01  0.1379770000D+00
  0.4446000000D+00  0.4781480000D+00
  0.1220000000D+00  0.5012400000D+00
  0.2974000000D-01  0.0000000000D+00
 s    5 1.00
  0.1301000000D+02  0.0000000000D+00
  0.1962000000D+01  0.0000000000D+00
  0.4446000000D+00  0.0000000000D+00
  0.1220000000D+00  0.1000000000D+01
  0.2974000000D-01  0.0000000000D+00
 s    5 1.00
  0.1301000000D+02  0.0000000000D+00
  0.1962000000D+01  0.0000000000D+00
  0.4446000000D+00  0.0000000000D+00
  0.1220000000D+00  0.0000000000D+00
  0.2974000000D-01  0.1000000000D+01
 p    2 1.00
  0.7270000000D+00  0.1000000000D+01
  0.1410000000D+00  0.0000000000D+00
 p    2 1.00
  0.7270000000D+00  0.0000000000D+00
  0.1410000000D+00  0.1000000000D+01
 
   4   0
 s   10 1.00
  0.1172000000D+05  0.7100000000D-03
  0.1759000000D+04  0.5470000000D-02
  0.4008000000D+03  0.2783700000D-01
  0.1137000000D+03  0.1048000000D+00
  0.3703000000D+02  0.2830620000D+00
  0.1327000000D+02  0.4487190000D+00
  0.5025000000D+01  0.2709520000D+00
  0.1013000000D+01  0.1545800000D-01
  0.3023000000D+00 -0.2585000000D-02
  0.7896000000D-01  0.0000000000D+00
 s   10 1.00
  0.1172000000D+05 -0.1600000000D-03
  0.1759000000D+04 -0.1263000000D-02
  0.4008000000D+03 -0.6267000000D-02
  0.1137000000D+03 -0.2571600000D-01
  0.3703000000D+02 -0.7092400000D-01
  0.1327000000D+02 -0.1654110000D+00
  0.5025000000D+01 -0.1169550000D+00
  0.1013000000D+01  0.5573680000D+00
  0.3023000000D+00  0.5727590000D+00
  0.7896000000D-01  0.0000000000D+00
 s   10 1.00
  0.1172000000D+05  0.0000000000D+00
  0.1759000000D+04  0.0000000000D+00
  0.4008000000D+03  0.0000000000D+00
  0.1137000000D+03  0.0000000000D+00
  0.3703000000D+02  0.0000000000D+00
  0.1327000000D+02  0.0000000000D+00
  0.5025000000D+01  0.0000000000D+00
  0.1013000000D+01  0.0000000000D+00
  0.3023000000D+00  0.1000000000D+01
  0.7896000000D-01  0.0000000000D+00
 s   10 1.00
  0.1172000000D+05  0.0000000000D+00
  0.1759000000D+04  0.0000000000D+00
  0.4008000000D+03  0.0000000000D+00
  0.1137000000D+03  0.0000000000D+00
  0.3703000000D+02  0.0000000000D+00
  0.1327000000D+02  0.0000000000D+00
  0.5025000000D+01  0.0000000000D+00
  0.1013000000D+01  0.0000000000D+00
  0.3023000000D+00  0.0000000000D+00
  0.7896000000D-01  0.1000000000D+01
 p    5 1.00
  0.1770000000D+02  0.4301800000D-01
  0.3854000000D+01  0.2289130000D+00
  0.1046000000D+01  0.5087280000D+00
  0.2753000000D+00  0.4605310000D+00
  0.6856000000D-01  0.0000000000D+00
 p    5 1.00
  0.1770000000D+02  0.0000000000D+00
  0.3854000000D+01  0.0000000000D+00
  0.1046000000D+01  0.0000000000D+00
  0.2753000000D+00  0.1000000000D+01
  0.6856000000D-01  0.0000000000D+00
 p    5 1.00
  0.1770000000D+02  0.0000000000D+00
  0.3854000000D+01  0.0000000000D+00
  0.1046000000D+01  0.0000000000D+00
  0.2753000000D+00  0.0000000000D+00
  0.6856000000D-01  0.1000000000D+01
 d    2 1.00
  0.1185000000D+01  0.1000000000D+01
  0.3320000000D+00  0.0000000000D+00
 d    2 1.00
  0.1185000000D+01  0.0000000000D+00
  0.3320000000D+00  0.1000000000D+01
 
[5D]
[7F]
[9G]
[MO]
 Ene=      -20.7074
 Spin= Alpha
 Occup=        1.0000
   1      0.0000294320
   2      0.0000601203
   3     -0.0002231281
   4      0.0005085932
   5     -0.0000073014
   6     -0.0000169989
   7     -0.0000001004
   8      0.0002023571
   9      0.0001932183
  10     -0.0000206460
  11      0.0005577683
  12      0.0004128995
  13      0.0000259731
  14     -0.0000074562
  15     -0.0000019561
  16     -0.0000029085
  17      0.0000287071
  18      0.0000146888
  19      0.0000262111
  20      0.0000106039
  21      0.0000071449
  22     -0.0001733312
  23     -0.0000816585
  24     -0.0000031941
  25      0.0000148427
  26      0.0000509995
  27      0.0002880159
  28     -0.0000182831
  29     -0.0000266000
  30      0.0000061640
  31     -0.0002150991
  32     -0.0002128875
  33     -0.0000073499
  34     -0.0019481525
  35     -0.0006332616
  36     -0.0000107515
  37     -0.0000070612
  38     -0.0000032969
  39      0.0000021790
  40      0.0000303459
  41      0.0000275762
  42     -0.0000387128
  43      0.0000271178
  44     -0.0000094746
  45     -0.0002610335
  46     -0.0002678682
  47     -0.0000558052
  48      0.0003095482
  49      0.0004788386
  50      0.0000297834
  51     -0.0000302475
  52     -0.0000045890
  53      0.0004258435
  54     -0.0000308773
  55      0.0000281717
  56     -1.0004125291
  57     -0.0035427641
  58      0.0029447436
  59     -0.0028698649
  60     -0.0000556680
  61     -0.0000206927
  62      0.0000041695
  63      0.0001521011
  64      0.0000385864
  65     -0.0000012269
  66     -0.0009461841
  67     -0.0001595882
  68     -0.0000063517
  69      0.0000573536
  70      0.0000016275
  71      0.0002096480
  72      0.0002458712
  73      0.0000040738
  74      0.0000452302
  75      0.0000004107
  76      0.0000191449
  77     -0.0000509829
  78     -0.0000234185
 Ene=      -20.6687
 Spin= Alpha
 Occup=        1.0000
   1      1.0015801763
   2      0.0061481338
   3     -0.0171727331
   4     -0.0051239837
   5     -0.0022633495
   6      0.0016559565
   7      0.0000340450
   8      0.0077899324
   9     -0.0055406840
  10     -0.0001261080
  11      0.0007994665
  12     -0.0003841951
  13     -0.0000255674
  14     -0.0003967153
  15     -0.0000442976
  16     -0.0000424563
  17      0.0000403148
  18     -0.0000948246
  19      0.0010128170
  20      0.0000430532
  21     -0.0000262877
  22     -0.0006211787
  23      0.0016414441
  24     -0.0000689289
  25     -0.0005081080
  26      0.0116468071
  27      0.0033577989
  28      0.0007251888
  29     -0.0002264996
  30     -0.0000347346
  31      0.0070715641
  32     -0.0050340872
  33     -0.0001254359
  34      0.0006963449
  35     -0.0008729002
  36      0.0000122167
  37      0.0000881726
  38      0.0000072757
  39     -0.0000143949
  40     -0.0001507996
  41      0.0002226866
  42     -0.0013120170
  43     -0.0000976095
  44      0.0000608939
  45      0.0011653645
  46     -0.0020768998
  47     -0.0003077487
  48      0.0018122214
  49     -0.0001107605
  50     -0.0000530180
  51      0.0002476850
  52     -0.0000138577
  53     -0.0003693613
  54     -0.0005255505
  55      0.0000689908
  56      0.0000028912
  57     -0.0000392290
  58      0.0000326088
  59     -0.0000183085
  60     -0.0000363391
  61      0.0000162120
  62      0.0000005997
  63      0.0000763190
  64     -0.0000393778
  65     -0.0000010959
  66     -0.0000184072
  67      0.0000689388
  68     -0.0000035143
  69      0.0000101896
  70      0.0000011068
  71      0.0000003220
  72     -0.0000348149
  73      0.0000117185
  74     -0.0000338455
  75     -0.0000029533
  76     -0.0000007465
  77      0.0001009272
  78     -0.0000311637
 Ene=      -15.7276
 Spin= Alpha
 Occup=        1.0000
   1      0.0002225508
   2      0.0014957169
   3     -0.0027456889
   4     -0.0016344366
   5     -0.0001869390
   6      0.0001109607
   7      0.0000040761
   8      0.0020945546
   9     -0.0012620854
  10     -0.0000464566
  11      0.0002509087
  12     -0.0002342543
  13     -0.0000050914
  14      0.0001708982
  15      0.0000081956
  16      0.0000013680
  17     -0.0000600576
  18      0.0002266811
  19      0.0006965282
  20      0.0000472496
  21     -0.0000133760
  22     -0.0005107638
  23      0.0009609001
  24      1.0011599219
  25      0.0050338352
  26     -0.0055334535
  27     -0.0018165706
  28      0.0040032531
  29      0.0005140875
  30     -0.0003176330
  31     -0.0023582285
  32     -0.0030130744
  33      0.0003840965
  34      0.0000075413
  35     -0.0009767285
  36      0.0000797034
  37     -0.0007758298
  38     -0.0000781368
  39     -0.0000761870
  40      0.0000660591
  41     -0.0002677306
  42      0.0004195120
  43      0.0000392257
  44      0.0000641029
  45      0.0000947141
  46     -0.0000164089
  47      0.0005289352
  48      0.0058866541
  49      0.0006629120
  50      0.0001778032
  51      0.0005330037
  52     -0.0000514444
  53     -0.0005435738
  54     -0.0024500337
  55      0.0002173177
  56     -0.0000066804
  57     -0.0000327470
  58      0.0000452801
  59      0.0000537016
  60     -0.0000195475
  61     -0.0000056684
  62     -0.0000010980
  63      0.0000345416
  64      0.0000108209
  65      0.0000016507
  66      0.0000519703
  67      0.0000700984
  68     -0.0000019719
  69      0.0000038698
  70     -0.0000014621
  71     -0.0000013510
  72     -0.0000092040
  73     -0.0000104884
  74     -0.0000073072
  75      0.0000038574
  76      0.0000036091
  77      0.0000214080
  78      0.0000251367
 Ene=       -1.5307
 Spin= Alpha
 Occup=        1.0000
   1      0.0104447805
   2     -0.7213264184
   3     -0.0001472122
   4     -0.0325983229
   5      0.1744059562
   6     -0.1253387000
   7     -0.0029047554
   8     -0.0003971345
   9     -0.0033132027
  10      0.0002570508
  11     -0.0009078799
  12      0.0023514910
  13      0.0000732671
  14      0.0086457167
  15      0.0003007056
  16     -0.0003431139
  17     -0.0053393913
  18      0.0150981979
  19      0.0101181686
  20      0.0003999281
  21     -0.0000135587
  22     -0.0038559159
  23      0.0147003400
  24      0.0035652095
  25     -0.5414821962
  26      0.2178480720
  27      0.0093609610
  28     -0.2195319693
  29      0.1114822652
  30      0.0070832095
  31      0.1204997856
  32     -0.0626024762
  33     -0.0037986548
  34     -0.0002007040
  35     -0.0101597844
  36      0.0003856076
  37      0.0139221376
  38      0.0009599199
  39     -0.0008260703
  40     -0.0137794189
  41      0.0227673507
  42     -0.0130606882
  43     -0.0009010969
  44     -0.0012046928
  45     -0.0007944807
  46     -0.0085020287
  47     -0.1228218801
  48      0.0901098951
  49      0.0018741241
  50      0.0027142387
  51      0.0167724051
  52     -0.0014301210
  53     -0.0014969233
  54     -0.0144718064
  55      0.0013072753
  56     -0.0001260537
  57     -0.0058324035
  58      0.0013700149
  59     -0.0034161577
  60     -0.0009252874
  61     -0.0000317951
  62      0.0000015511
  63      0.0003186855
  64     -0.0001679162
  65     -0.0000014929
  66     -0.0017079255
  67      0.0007596295
  68     -0.0001188671
  69      0.0000775182
  70      0.0000160588
  71      0.0000022481
  72     -0.0002039826
  73     -0.0000254437
  74     -0.0001347470
  75     -0.0000614820
  76      0.0000197959
  77      0.0005144650
  78      0.0000463951
 Ene=       -1.3990
 Spin= Alpha
 Occup=        1.0000
   1     -0.0001986872
   2      0.0070138959
   3      0.0021570709
   4     -0.0029857451
   5     -0.0006938066
   6      0.0012113885
   7     -0.0000580179
   8     -0.0018426841
   9     -0.0010138999
  10      0.0003181569
  11     -0.0044681724
  12     -0.0026410333
  13     -0.0003914897
  14     -0.0000141285
  15      0.0000060403
  16      0.0000096629
  17     -0.0001371985
  18     -0.0001979366
  19     -0.0004216527
  20     -0.0001345429
  21      0.0000099164
  22      0.0013167611
  23      0.0004170582
  24      0.0002516631
  25      0.0004873992
  26     -0.0028191860
  27     -0.0021405337
  28      0.0043906290
  29     -0.0009260234
  30     -0.0000767658
  31      0.0005488244
  32      0.0026365065
  33     -0.0000136367
  34      0.0143066832
  35      0.0038623382
  36      0.0003458852
  37      0.0001270931
  38      0.0000174144
  39     -0.0000039451
  40     -0.0002911968
  41     -0.0004758510
  42      0.0007822022
  43     -0.0003300713
  44      0.0001538690
  45      0.0012552372
  46      0.0021174026
  47     -0.0001261329
  48     -0.0022518813
  49     -0.0030717513
  50     -0.0002764813
  51      0.0000828390
  52      0.0000232084
  53     -0.0034217780
  54      0.0005568405
  55     -0.0002293605
  56     -0.0009108167
  57     -1.0101700556
  58      0.0197958093
  59     -0.0067189866
  60     -0.0019109439
  61     -0.0006003818
  62      0.0001625284
  63      0.0009483648
  64     -0.0007124607
  65      0.0001646952
  66      0.0067164131
  67      0.0011611013
  68      0.0000039683
  69      0.0001056671
  70      0.0000141745
  71      0.0002622464
  72      0.0002500094
  73     -0.0000528681
  74      0.0003241795
  75      0.0001155631
  76      0.0026195624
  77      0.0038168998
  78     -0.0000428626
 Ene=       -1.0001
 Spin= Alpha
 Occup=        1.0000
   1      0.0009628213
   2      0.5500971539
   3      0.0923376313
   4      0.0638589463
   5      0.1540308150
   6     -0.1746024850
   7      0.0021281569
   8     -0.0453797338
   9      0.0331238163
  10      0.0006463148
  11     -0.0023097020
  12      0.0055700471
  13     -0.0002616194
  14      0.0038242053
  15     -0.0002931388
  16     -0.0001871991
  17      0.0002385660
  18      0.0099286027
  19      0.0023265880
  20     -0.0003581245
  21      0.0002113436
  22      0.0039555811
  23      0.0054348305
  24     -0.0023477248
  25     -0.6909290823
  26      0.0207868718
  27     -0.0497475280
  28      0.0633715411
  29     -0.2563778743
  30      0.0144536292
  31     -0.0281345202
  32      0.0995132444
  33     -0.0053508905
  34     -0.0093913376
  35     -0.0027682049
  36      0.0008217095
  37      0.0027502681
  38      0.0007485703
  39      0.0020667422
  40      0.0095890392
  41     -0.0144966572
  42      0.0013583617
  43     -0.0005563395
  44     -0.0024757242
  45     -0.0130603551
  46      0.0225739591
  47     -0.4363846013
  48      0.2067551609
  49      0.0036942166
  50      0.0114029328
  51      0.0319731139
  52     -0.0031543504
  53     -0.0028008132
  54     -0.0075317026
  55      0.0007654567
  56      0.0001552939
  57      0.0124445827
  58      0.0003206367
  59     -0.0003867917
  60     -0.0148597671
  61     -0.0032181115
  62     -0.0003593605
  63      0.0008076607
  64      0.0004324511
  65      0.0000415685
  66     -0.0004732702
  67      0.0013383795
  68     -0.0002512271
  69      0.0002090177
  70      0.0000281361
  71      0.0000063864
  72     -0.0002311024
  73     -0.0004900666
  74     -0.0001446588
  75     -0.0001127926
  76     -0.0000201922
  77     -0.0001428609
  78      0.0013846816
 Ene=       -0.7471
 Spin= Alpha
 Occup=        1.0000
   1      0.0010142713
   2      0.2348983919
   3      0.0611167131
   4      0.0569571850
   5      0.6264270799
   6      0.1071670771
   7     -0.0513743481
   8     -0.0405979553
   9      0.0164913072
  10      0.0015555456
  11     -0.0018604796
  12      0.0013671324
  13      0.0000264218
  14      0.0065824633
  15      0.0015622586
  16     -0.0010603519
  17     -0.0189874961
  18      0.0073330920
  19      0.0023595997
  20      0.0014876967
  21     -0.0016441139
  22     -0.0220692404
  23      0.0045658629
  24     -0.0060824487
  25     -0.1765613879
  26      0.0218452232
  27     -0.0157225669
  28      0.0205004236
  29      0.5596943254
  30     -0.0423479353
  31      0.0095066396
  32     -0.1216808188
  33      0.0083856393
  34      0.0058136344
  35      0.0182052016
  36     -0.0016752245
  37      0.0010534935
  38     -0.0022383474
  39     -0.0022675486
  40     -0.0011286707
  41      0.0328875265
  42      0.0014704364
  43      0.0015692992
  44     -0.0003158840
  45     -0.0125520306
  46     -0.0075160089
  47      0.4071889275
  48     -0.1608521324
  49     -0.0020915964
  50     -0.0061590290
  51     -0.0218765704
  52      0.0020754491
  53      0.0059581726
  54     -0.0043111708
  55     -0.0000326803
  56      0.0000645112
  57      0.0052768553
  58      0.0001795819
  59      0.0045831413
  60     -0.0639459668
  61      0.0057966011
  62      0.0008874105
  63      0.0035400695
  64      0.0000480152
  65     -0.0001525952
  66      0.0001205252
  67     -0.0009166125
  68      0.0004251047
  69      0.0001499411
  70     -0.0000506204
  71     -0.0000045076
  72     -0.0003242468
  73      0.0000722257
  74     -0.0002561414
  75      0.0001617619
  76     -0.0000142894
  77      0.0005129009
  78     -0.0001246962
 Ene=       -0.6979
 Spin= Alpha
 Occup=        1.0000
   1     -0.0012449341
   2     -0.0815575190
   3     -0.0131032914
   4     -0.0103609483
   5     -0.1151770496
   6      0.2169300518
   7     -0.0047386149
   8     -0.0044150242
   9     -0.0173702882
  10      0.0004249036
  11     -0.0030661452
  12      0.0048767602
  13     -0.0001237142
  14     -0.0034023571
  15      0.0000754708
  16      0.0001231085
  17     -0.0014082086
  18     -0.0073227381
  19     -0.0041186115
  20     -0.0002073887
  21     -0.0001615696
  22      0.0048864487
  23     -0.0056001831
  24      0.0011151229
  25     -0.0512092756
  26     -0.0512230354
  27     -0.0046121378
  28      0.2315759354
  29     -0.0376048681
  30     -0.0098482060
  31     -0.0308724142
  32      0.0259261930
  33      0.0011201876
  34      0.0079709421
  35      0.0019096105
  36     -0.0004991841
  37     -0.0038335079
  38     -0.0008613572
  39      0.0003536039
  40      0.0086970715
  41     -0.0049558607
  42     -0.0018257847
  43     -0.0004129606
  44     -0.0003708376
  45      0.0107123919
  46      0.0098790672
  47     -0.0190039326
  48     -0.0054660851
  49     -0.0029966593
  50      0.0013042865
  51      0.0005487458
  52     -0.0001481974
  53     -0.0051330393
  54      0.0070488412
  55     -0.0003539983
  56     -0.0004421016
  57      0.0032085408
  58      0.0014000720
  59      0.0075816598
  60     -0.9439932668
  61     -0.0435941408
  62     -0.0849046733
  63      0.0410772569
  64      0.0012324890
  65      0.0039055485
  66     -0.0170985309
  67     -0.0010396691
  68     -0.0016038405
  69      0.0000658467
  70      0.0000223412
  71     -0.0001199073
  72     -0.0002600948
  73     -0.0001176746
  74     -0.0007364919
  75      0.0003504640
  76     -0.0001268051
  77      0.0012515600
  78     -0.0007547978
 Ene=       -0.6927
 Spin= Alpha
 Occup=        1.0000
   1     -0.0001295024
   2     -0.0028353634
   3      0.0008668347
   4      0.0042730918
   5     -0.0075479476
   6      0.0016763034
   7      0.0087437192
   8     -0.0010802935
   9     -0.0000782847
  10      0.0003879486
  11     -0.0007520602
  12     -0.0001619770
  13     -0.0015846276
  14     -0.0001078977
  15     -0.0003918241
  16      0.0002251843
  17      0.0001297155
  18     -0.0001896060
  19     -0.0001437030
  20     -0.0002012122
  21      0.0004610637
  22      0.0005189517
  23     -0.0001526077
  24      0.0001602383
  25      0.0007754337
  26     -0.0030919058
  27     -0.0037758642
  28      0.0035436759
  29     -0.0052988857
  30      0.0090213384
  31     -0.0015033585
  32      0.0031489205
  33      0.0004404521
  34     -0.0009356346
  35      0.0021322928
  36      0.0032103385
  37     -0.0000555355
  38      0.0002558441
  39     -0.0002592927
  40      0.0001799887
  41     -0.0005198255
  42     -0.0000174898
  43     -0.0009745503
  44      0.0001033543
  45      0.0004587797
  46      0.0003578177
  47     -0.0047927901
  48      0.0013218633
  49     -0.0000338996
  50      0.0001349231
  51      0.0002526280
  52      0.0001674351
  53     -0.0003503484
  54     -0.0002546774
  55     -0.0009723797
  56     -0.0000967504
  57     -0.0007513386
  58      0.0001873319
  59      0.0009993045
  60     -0.1008356714
  61      0.4376444120
  62      0.9232829511
  63      0.0043675508
  64     -0.0186747068
  65     -0.0394421171
  66     -0.0017390052
  67      0.0093461019
  68      0.0199082441
  69     -0.0000550332
  70      0.0001691295
  71      0.0000468749
  72     -0.0000647427
  73      0.0000702006
  74     -0.0004664498
  75     -0.0010108061
  76      0.0005813821
  77     -0.0001931831
  78     -0.0005611967
 Ene=       -0.6618
 Spin= Alpha
 Occup=        1.0000
   1     -0.0010413455
   2     -0.1275496652
   3     -0.0377430528
   4     -0.0333870328
   5     -0.1160410186
   6      0.6448592628
   7     -0.0412344703
   8      0.0130223155
   9     -0.0147332984
  10      0.0006082022
  11      0.0031207083
  12      0.0138417465
  13     -0.0013632227
  14     -0.0067124300
  15      0.0008856908
  16     -0.0003207627
  17     -0.0065277704
  18     -0.0157916980
  19     -0.0087605593
  20      0.0008893057
  21     -0.0005964225
  22     -0.0107274234
  23     -0.0163769540
  24     -0.0012710425
  25     -0.2225988699
  26     -0.0849309947
  27     -0.0119171774
  28      0.5627154685
  29     -0.0490735965
  30     -0.0375019882
  31     -0.0880111590
  32      0.0227684569
  33      0.0041738912
  34      0.0137286051
  35      0.0073774187
  36     -0.0012655608
  37     -0.0130653223
  38     -0.0033926298
  39      0.0012561551
  40      0.0332255351
  41     -0.0058674279
  42     -0.0018447993
  43     -0.0003382203
  44     -0.0012872286
  45     -0.0100745231
  46      0.0017755085
  47     -0.0641904243
  48     -0.0035537652
  49     -0.0040618496
  50      0.0095990406
  51      0.0010798137
  52     -0.0007018935
  53      0.0034093201
  54      0.0082395044
  55     -0.0007920169
  56      0.0009676592
  57      0.0211094344
  58     -0.0024537963
  59      0.0061947753
  60      0.3889373873
  61     -0.0129249727
  62      0.0440990522
  63     -0.0162593147
  64     -0.0000018958
  65     -0.0015474360
  66      0.0111119714
  67     -0.0012420780
  68      0.0014209834
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  70     -0.0000275259
  71      0.0000896550
  72     -0.0008817391
  73     -0.0003947878
  74     -0.0005520863
  75     -0.0001797143
  76     -0.0000114563
  77      0.0006652575
  78      0.0009791105
 Ene=       -0.5967
 Spin= Alpha
 Occup=        1.0000
   1     -0.0001181874
   2      0.0017865381
   3      0.0057149609
   4      0.0069426186
   5      0.0239788477
   6     -0.0049398719
   7      0.2656289806
   8     -0.0016689701
   9      0.0017513541
  10      0.0088437746
  11     -0.0003828016
  12      0.0010880632
  13      0.0118136012
  14      0.0004703094
  15     -0.0088702880
  16      0.0062679575
  17     -0.0009860458
  18      0.0003245132
  19      0.0006357410
  20     -0.0126338776
  21      0.0098494265
  22     -0.0011504422
  23      0.0000100907
  24      0.0002189255
  25      0.0106214906
  26      0.0010763520
  27     -0.0028980330
  28     -0.0012368669
  29      0.0251947897
  30      0.2144829365
  31      0.0004954059
  32     -0.0010438123
  33     -0.0116495827
  34     -0.0011622154
  35      0.0025970060
  36      0.0071771655
  37     -0.0004797467
  38      0.0151132434
  39     -0.0065738238
  40     -0.0002311485
  41      0.0014599557
  42      0.0000606138
  43      0.0020537343
  44      0.0039306321
  45     -0.0006947730
  46      0.0039145063
  47      0.0120106242
  48     -0.0064918000
  49      0.0009206702
  50     -0.0005562227
  51     -0.0002492534
  52      0.0039929235
  53     -0.0006989291
  54      0.0013630698
  55     -0.0013065814
  56      0.0001203067
  57      0.0021528697
  58      0.0003249525
  59     -0.0025707800
  60     -0.0033132259
  61     -0.8103598040
  62      0.3751618442
  63     -0.0002373846
  64     -0.0026412632
  65      0.0018292131
  66     -0.0010304687
  67     -0.0495457535
  68      0.0220953933
  69      0.0000038564
  70      0.0000636974
  71      0.0000705246
  72      0.0000682896
  73      0.0000628887
  74      0.0003650757
  75     -0.0005207438
  76      0.0004937765
  77      0.0007153318
  78      0.0009982151
 Ene=       -0.5943
 Spin= Alpha
 Occup=        1.0000
   1     -0.0000706067
   2      0.0005898456
   3      0.0025256156
   4      0.0038272681
   5     -0.0403505973
   6     -0.0566987264
   7     -0.6126935453
   8     -0.0026411085
   9     -0.0011806491
  10     -0.0189522012
  11     -0.0014231047
  12     -0.0012551178
  13     -0.0269082221
  14     -0.0005257976
  15      0.0204071030
  16     -0.0145573925
  17      0.0025414877
  18      0.0007387441
  19     -0.0004654004
  20      0.0288332890
  21     -0.0219473236
  22      0.0039778767
  23      0.0007321951
  24      0.0001003878
  25      0.0050867630
  26      0.0006603076
  27      0.0007744568
  28     -0.0415569388
  29     -0.0319775582
  30     -0.4911849071
  31      0.0026711863
  32      0.0022669160
  33      0.0266958895
  34     -0.0052131775
  35     -0.0011830380
  36     -0.0188803800
  37      0.0026246967
  38     -0.0350108947
  39      0.0149089922
  40     -0.0044067701
  41     -0.0011931767
  42      0.0023228906
  43     -0.0081506541
  44     -0.0087150787
  45      0.0001781931
  46      0.0004256456
  47      0.0056059490
  48     -0.0038925222
  49      0.0006218911
  50     -0.0010863420
  51     -0.0008882050
  52     -0.0090121394
  53      0.0005377196
  54      0.0013213050
  55      0.0031116779
  56     -0.0000602142
  57     -0.0007233818
  58      0.0009154547
  59     -0.0042919317
  60     -0.0120258600
  61     -0.3444662887
  62      0.1821290887
  63      0.0001153675
  64     -0.0016856106
  65     -0.0005859500
  66     -0.0022100200
  67     -0.0217749499
  68      0.0131082750
  69     -0.0000635843
  70     -0.0002304206
  71     -0.0000334039
  72      0.0001277213
  73      0.0000784275
  74      0.0002831912
  75     -0.0000545635
  76      0.0003332543
  77      0.0000996908
  78      0.0002394169
 Ene=       -0.4344
 Spin= Alpha
 Occup=        1.0000
   1     -0.0010282102
   2     -0.0217896786
   3     -0.0149473119
   4     -0.0173938390
   5      0.4721256123
   6      0.5560944596
   7     -0.0742408878
   8      0.0405651878
   9      0.0392055456
  10     -0.0054923603
  11      0.0595105466
  12      0.0654916751
  13     -0.0089885302
  14      0.0015482067
  15      0.0000814831
  16      0.0000100318
  17     -0.0004838279
  18      0.0020739998
  19      0.0033104331
  20      0.0010975425
  21     -0.0003864057
  22     -0.0114389229
  23     -0.0001533062
  24      0.0025619419
  25      0.2437420873
  26      0.1343451316
  27      0.1133117550
  28     -0.4753968538
  29     -0.3308458078
  30      0.0575099950
  31      0.0017419080
  32     -0.0226781334
  33      0.0014421229
  34     -0.0479035815
  35     -0.0341029127
  36      0.0058412550
  37      0.0136774245
  38      0.0000236415
  39      0.0036205888
  40      0.0241768197
  41     -0.0009516674
  42      0.0003563086
  43      0.0008315928
  44      0.0011864664
  45     -0.0001201854
  46     -0.0125330743
  47     -0.4600105953
  48      0.0959353851
  49     -0.0184982848
  50     -0.0009298380
  51      0.0186813157
  52     -0.0013562224
  53      0.0062759546
  54     -0.0185611575
  55      0.0008173113
  56     -0.0012281174
  57     -0.0268211653
  58     -0.0008749294
  59     -0.0127725356
  60     -0.0838481795
  61     -0.0118893829
  62     -0.0007471768
  63      0.0072415255
  64     -0.0004519656
  65      0.0005749182
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  67     -0.0003284012
  68     -0.0000287068
  69     -0.0003862515
  70      0.0000242945
  71     -0.0000689416
  72      0.0005617747
  73      0.0001327887
  74     -0.0014796047
  75      0.0001706028
  76      0.0001383608
  77      0.0028511854
  78      0.0004498905
 Ene=        0.0365
 Spin= Alpha
 Occup=        0.0000
   1      0.0033096944
   2      0.0416585751
   3     -0.0301481245
   4     -0.6572916463
   5      0.0279172118
   6     -0.0365295663
   7      0.0098333672
   8      0.0361396636
   9     -0.0149126377
  10      0.0002551419
  11      0.1754208167
  12     -0.2425955051
  13      0.0101772499
  14      0.0000768619
  15      0.0003398766
  16      0.0000381323
  17     -0.0012501832
  18     -0.0025934293
  19      0.0012277701
  20      0.0002340389
  21     -0.0006010550
  22     -0.0067425742
  23      0.0071475702
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  76     -0.0007439569
  77     -0.0031141820
  78     -0.0033588695
 Ene=        0.0612
 Spin= Alpha
 Occup=        0.0000
   1     -0.0000420003
   2     -0.0021013015
   3     -0.0028598552
   4     -0.0261631467
   5      0.0394347165
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  77      0.0003308405
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 Ene=        0.1121
 Spin= Alpha
 Occup=        0.0000
   1     -0.0097148769
   2      0.1121027831
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   4      5.5303534097
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  77     -0.0003834371
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 Ene=        0.1377
 Spin= Alpha
 Occup=        0.0000
   1     -0.0098359117
   2     -0.0162613272
   3      0.2596462027
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 Ene=        0.1580
 Spin= Alpha
 Occup=        0.0000
   1     -0.0011258334
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 Ene=        0.1868
 Spin= Alpha
 Occup=        0.0000
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   2      0.0197181436
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 Ene=        0.1996
 Spin= Alpha
 Occup=        0.0000
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 Ene=        0.2105
 Spin= Alpha
 Occup=        0.0000
   1      0.0135040203
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   3     -0.2511400158
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 Ene=        0.2138
 Spin= Alpha
 Occup=        0.0000
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   3      0.0347768411
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 Ene=        0.2487
 Spin= Alpha
 Occup=        0.0000
   1      0.0033473337
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   3     -0.1395536270
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  12      1.2498329530
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 Ene=        0.2685
 Spin= Alpha
 Occup=        0.0000
   1      0.0015958698
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  78      0.0027604673
 Ene=        0.2772
 Spin= Alpha
 Occup=        0.0000
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 Ene=        0.3080
 Spin= Alpha
 Occup=        0.0000
   1     -0.0049908424
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 Ene=        0.3712
 Spin= Alpha
 Occup=        0.0000
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 Ene=        0.3898
 Spin= Alpha
 Occup=        0.0000
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 Ene=        0.3937
 Spin= Alpha
 Occup=        0.0000
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 Ene=        0.4722
 Spin= Alpha
 Occup=        0.0000
   1      0.0056498582
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 Ene=        0.5605
 Spin= Alpha
 Occup=        0.0000
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 Ene=        0.6158
 Spin= Alpha
 Occup=        0.0000
   1     -0.0115563707
   2      0.1617073774
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 Ene=        0.7016
 Spin= Alpha
 Occup=        0.0000
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 Ene=        0.7329
 Spin= Alpha
 Occup=        0.0000
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 Ene=        0.7884
 Spin= Alpha
 Occup=        0.0000
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 Ene=        0.8218
 Spin= Alpha
 Occup=        0.0000
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 Ene=        0.8510
 Spin= Alpha
 Occup=        0.0000
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 Ene=        0.9418
 Spin= Alpha
 Occup=        0.0000
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 Ene=        0.9482
 Spin= Alpha
 Occup=        0.0000
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 Ene=        0.9686
 Spin= Alpha
 Occup=        0.0000
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  75     -0.1637525593
  76     -0.1197210838
  77      0.2858914728
  78     -0.2872343758
 Ene=        0.9761
 Spin= Alpha
 Occup=        0.0000
   1     -0.0674133628
   2     -0.1294418527
   3      1.9881986554
   4      3.3262563051
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  76     -0.4322321988
  77      0.0978101187
  78     -0.1377328940
 Ene=        1.0011
 Spin= Alpha
 Occup=        0.0000
   1     -0.0783609641
   2     -0.1453416128
   3      2.4242180148
   4      3.8123121463
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  32      1.3395270346
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  78     -0.4125298693
 Ene=        1.0547
 Spin= Alpha
 Occup=        0.0000
   1     -0.0781381739
   2     -0.1381611605
   3      2.6380485647
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 Ene=        1.0945
 Spin= Alpha
 Occup=        0.0000
   1      0.0132022023
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   3     -0.5840861164
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 Ene=        1.1263
 Spin= Alpha
 Occup=        0.0000
   1      0.0377249839
   2     -0.0313241190
   3     -2.0677166351
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 Ene=        1.1418
 Spin= Alpha
 Occup=        0.0000
   1     -0.0025921131
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   3      0.1238737511
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  77     -0.0552495746
  78      0.0018940140
 Ene=        1.2057
 Spin= Alpha
 Occup=        0.0000
   1      0.0271899109
   2      0.1542394589
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   5     -0.4164273457
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  31      1.4037312374
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 Ene=        1.2235
 Spin= Alpha
 Occup=        0.0000
   1      0.0169155541
   2      0.0433160792
   3     -0.5028566110
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 Ene=        1.2425
 Spin= Alpha
 Occup=        0.0000
   1     -0.0001167868
   2      0.0004761818
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 Ene=        1.2732
 Spin= Alpha
 Occup=        0.0000
   1      0.0037575890
   2      0.0235630801
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   4     -0.2142859476
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  78      0.0481871007
 Ene=        1.3202
 Spin= Alpha
 Occup=        0.0000
   1      0.0171550286
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 Ene=        1.3604
 Spin= Alpha
 Occup=        0.0000
   1      0.0377013076
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 Ene=        1.4515
 Spin= Alpha
 Occup=        0.0000
   1     -0.0398955869
   2      0.0530555557
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 Ene=        1.5420
 Spin= Alpha
 Occup=        0.0000
   1     -0.0415005702
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 Ene=        1.6779
 Spin= Alpha
 Occup=        0.0000
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 Ene=        1.7557
 Spin= Alpha
 Occup=        0.0000
   1     -0.0641289755
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 Ene=        1.8940
 Spin= Alpha
 Occup=        0.0000
   1      0.0557763815
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 Ene=        1.9045
 Spin= Alpha
 Occup=        0.0000
   1      0.0317198285
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 Ene=        2.0001
 Spin= Alpha
 Occup=        0.0000
   1     -0.1487468833
   2     -0.7158601989
   3      3.0822654521
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  78      0.0861266586
 Ene=        2.1240
 Spin= Alpha
 Occup=        0.0000
   1      0.0898896461
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 Ene=        2.2848
 Spin= Alpha
 Occup=        0.0000
   1     -0.0584978631
   2     -0.1973191688
   3      0.9264038192
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 Ene=        2.3151
 Spin= Alpha
 Occup=        0.0000
   1      0.0777340766
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   3     -2.3498355495
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 Ene=        2.4650
 Spin= Alpha
 Occup=        0.0000
   1      0.0096369193
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 Ene=        2.6037
 Spin= Alpha
 Occup=        0.0000
   1      0.0012295073
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 Ene=        2.6248
 Spin= Alpha
 Occup=        0.0000
   1      0.0252007387
   2      0.1541014384
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   4     -0.0719549672
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 Ene=        2.8008
 Spin= Alpha
 Occup=        0.0000
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 Ene=        3.1066
 Spin= Alpha
 Occup=        0.0000
   1      0.5957244253
   2      2.2485620603
   3     -6.6549008463
   4     -3.0386590704
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 Ene=        3.4157
 Spin= Alpha
 Occup=        0.0000
   1      0.7118518494
   2      2.7630367140
   3     -7.0359214728
   4     -2.8748898917
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 Ene=        3.4370
 Spin= Alpha
 Occup=        0.0000
   1      0.5408563729
   2      2.0996513510
   3     -5.4468921537
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 Ene=        3.4534
 Spin= Alpha
 Occup=        0.0000
   1      0.4221744940
   2      1.6334796495
   3     -4.2533840144
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 Ene=        3.4657
 Spin= Alpha
 Occup=        0.0000
   1      0.3446233651
   2      1.3359414798
   3     -3.4891388865
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 Ene=        3.5186
 Spin= Alpha
 Occup=        0.0000
   1      0.4316475630
   2      1.6752045884
   3     -4.6245945833
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  78     -0.5489018915
 Ene=        3.5656
 Spin= Alpha
 Occup=        0.0000
   1      0.0606368846
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 Ene=        3.5809
 Spin= Alpha
 Occup=        0.0000
   1      0.0586653494
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 Ene=        3.6755
 Spin= Alpha
 Occup=        0.0000
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  75      0.0164985678
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  77      0.3619582962
  78     -0.0365875170
 Ene=        3.8076
 Spin= Alpha
 Occup=        0.0000
   1     -0.0084820668
   2     -0.0332211672
   3      0.0740265816
   4      0.0385833612
   5      0.0150376277
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  77     -0.0159117447
  78     -0.0151323583
 Ene=        3.8734
 Spin= Alpha
 Occup=        0.0000
   1      0.0457024310
   2      0.1707731830
   3     -0.4075373606
   4     -0.0720678020
   5      0.0958197044
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  41     -0.1992778313
  42     -0.0841677556
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  75     -0.0060634489
  76     -0.0046993549
  77     -0.1137604623
  78     -0.0753415905
 Ene=        4.0214
 Spin= Alpha
 Occup=        0.0000
   1      0.4739082444
   2      1.6663992867
   3     -5.6257778186
   4     -1.6082946223
   5      0.2538698561
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  30     -0.0159807915
  31      2.0590835619
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 Ene=      -20.6687
 Spin= Beta
 Occup=        1.0000
   1      1.0015801844
   2      0.0061467573
   3     -0.0171728518
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 Ene=      -20.6348
 Spin= Beta
 Occup=        1.0000
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 Ene=      -15.7274
 Spin= Beta
 Occup=        1.0000
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 Ene=       -1.5305
 Spin= Beta
 Occup=        1.0000
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   2     -0.7215005752
   3     -0.0001853214
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 Ene=       -1.0818
 Spin= Beta
 Occup=        1.0000
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 Ene=       -0.9994
 Spin= Beta
 Occup=        1.0000
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  77     -0.0411392010
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 Ene=        3.8773
 Spin= Beta
 Occup=        0.0000
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   2      0.1217259713
   3     -0.2927702243
   4     -0.0082576272
   5      0.1081003738
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  78     -0.0983670686
 Ene=        4.0226
 Spin= Beta
 Occup=        0.0000
   1     -0.4768712695
   2     -1.6777464355
   3      5.6558121214
   4      1.6254634125
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  76     -0.0000966082
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  78     -0.0613045196
