[Molden Format]
[Atoms] Angs
N     1    7         0.0000000000        0.0000000000       -1.1996367307
N     2    7         0.0000000000        0.0000000000       -0.0714367307
O     3    8         0.0000000000        0.0000000000        1.1127632693
[GTO]
  1 0
 s   10 1.00
  0.1142000000E+05  0.5229996559E-03
  0.1712000000E+04  0.4044997339E-02
  0.3893000000E+03  0.2077498633E-01
  0.1100000000E+03  0.8072694689E-01
  0.3557000000E+02  0.2330738467E+00
  0.1254000000E+02  0.4335007148E+00
  0.4644000000E+01  0.3474717714E+00
  0.1293000000E+01  0.4126197285E-01
  0.5118000000E+00 -0.8507994403E-02
  0.1787000000E+00  0.2383998432E-02
 s   10 1.00
  0.1142000000E+05 -0.1149999544E-03
  0.1712000000E+04 -0.8949996452E-03
  0.3893000000E+03 -0.4623998167E-02
  0.1100000000E+03 -0.1852799265E-01
  0.3557000000E+02 -0.5733897727E-01
  0.1254000000E+02 -0.1320759476E+00
  0.4644000000E+01 -0.1725099316E+00
  0.1293000000E+01  0.1518139398E+00
  0.5118000000E+00  0.5999437621E+00
  0.1787000000E+00  0.3874618464E+00
 s   10 1.00
  0.1142000000E+05  0.0000000000E+00
  0.1712000000E+04  0.0000000000E+00
  0.3893000000E+03  0.0000000000E+00
  0.1100000000E+03  0.0000000000E+00
  0.3557000000E+02  0.0000000000E+00
  0.1254000000E+02  0.0000000000E+00
  0.4644000000E+01  0.0000000000E+00
  0.1293000000E+01  0.1000000000E+01
  0.5118000000E+00  0.0000000000E+00
  0.1787000000E+00  0.0000000000E+00
 s   10 1.00
  0.1142000000E+05  0.0000000000E+00
  0.1712000000E+04  0.0000000000E+00
  0.3893000000E+03  0.0000000000E+00
  0.1100000000E+03  0.0000000000E+00
  0.3557000000E+02  0.0000000000E+00
  0.1254000000E+02  0.0000000000E+00
  0.4644000000E+01  0.0000000000E+00
  0.1293000000E+01  0.0000000000E+00
  0.5118000000E+00  0.0000000000E+00
  0.1787000000E+00  0.1000000000E+01
 s    1 1.00
  0.5760000000E-01  0.1000000000E+01
 p    5 1.00
  0.2663000000E+02  0.1467000345E-01
  0.5948000000E+01  0.9176402155E-01
  0.1742000000E+01  0.2986830701E+00
  0.5550000000E+00  0.4984871171E+00
  0.1725000000E+00  0.3370230791E+00
 p    5 1.00
  0.2663000000E+02  0.0000000000E+00
  0.5948000000E+01  0.0000000000E+00
  0.1742000000E+01  0.0000000000E+00
  0.5550000000E+00  0.1000000000E+01
  0.1725000000E+00  0.0000000000E+00
 p    5 1.00
  0.2663000000E+02  0.0000000000E+00
  0.5948000000E+01  0.0000000000E+00
  0.1742000000E+01  0.0000000000E+00
  0.5550000000E+00  0.0000000000E+00
  0.1725000000E+00  0.1000000000E+01
 p    1 1.00
  0.4910000000E-01  0.1000000000E+01
 d    1 1.00
  0.1654000000E+01  0.1000000000E+01
 d    1 1.00
  0.4690000000E+00  0.1000000000E+01
 d    1 1.00
  0.1510000000E+00  0.1000000000E+01
 f    1 1.00
  0.1093000000E+01  0.1000000000E+01
 f    1 1.00
  0.3640000000E+00  0.1000000000E+01

  2 0
 s   10 1.00
  0.1142000000E+05  0.5229996559E-03
  0.1712000000E+04  0.4044997339E-02
  0.3893000000E+03  0.2077498633E-01
  0.1100000000E+03  0.8072694689E-01
  0.3557000000E+02  0.2330738467E+00
  0.1254000000E+02  0.4335007148E+00
  0.4644000000E+01  0.3474717714E+00
  0.1293000000E+01  0.4126197285E-01
  0.5118000000E+00 -0.8507994403E-02
  0.1787000000E+00  0.2383998432E-02
 s   10 1.00
  0.1142000000E+05 -0.1149999544E-03
  0.1712000000E+04 -0.8949996452E-03
  0.3893000000E+03 -0.4623998167E-02
  0.1100000000E+03 -0.1852799265E-01
  0.3557000000E+02 -0.5733897727E-01
  0.1254000000E+02 -0.1320759476E+00
  0.4644000000E+01 -0.1725099316E+00
  0.1293000000E+01  0.1518139398E+00
  0.5118000000E+00  0.5999437621E+00
  0.1787000000E+00  0.3874618464E+00
 s   10 1.00
  0.1142000000E+05  0.0000000000E+00
  0.1712000000E+04  0.0000000000E+00
  0.3893000000E+03  0.0000000000E+00
  0.1100000000E+03  0.0000000000E+00
  0.3557000000E+02  0.0000000000E+00
  0.1254000000E+02  0.0000000000E+00
  0.4644000000E+01  0.0000000000E+00
  0.1293000000E+01  0.1000000000E+01
  0.5118000000E+00  0.0000000000E+00
  0.1787000000E+00  0.0000000000E+00
 s   10 1.00
  0.1142000000E+05  0.0000000000E+00
  0.1712000000E+04  0.0000000000E+00
  0.3893000000E+03  0.0000000000E+00
  0.1100000000E+03  0.0000000000E+00
  0.3557000000E+02  0.0000000000E+00
  0.1254000000E+02  0.0000000000E+00
  0.4644000000E+01  0.0000000000E+00
  0.1293000000E+01  0.0000000000E+00
  0.5118000000E+00  0.0000000000E+00
  0.1787000000E+00  0.1000000000E+01
 s    1 1.00
  0.5760000000E-01  0.1000000000E+01
 p    5 1.00
  0.2663000000E+02  0.1467000345E-01
  0.5948000000E+01  0.9176402155E-01
  0.1742000000E+01  0.2986830701E+00
  0.5550000000E+00  0.4984871171E+00
  0.1725000000E+00  0.3370230791E+00
 p    5 1.00
  0.2663000000E+02  0.0000000000E+00
  0.5948000000E+01  0.0000000000E+00
  0.1742000000E+01  0.0000000000E+00
  0.5550000000E+00  0.1000000000E+01
  0.1725000000E+00  0.0000000000E+00
 p    5 1.00
  0.2663000000E+02  0.0000000000E+00
  0.5948000000E+01  0.0000000000E+00
  0.1742000000E+01  0.0000000000E+00
  0.5550000000E+00  0.0000000000E+00
  0.1725000000E+00  0.1000000000E+01
 p    1 1.00
  0.4910000000E-01  0.1000000000E+01
 d    1 1.00
  0.1654000000E+01  0.1000000000E+01
 d    1 1.00
  0.4690000000E+00  0.1000000000E+01
 d    1 1.00
  0.1510000000E+00  0.1000000000E+01
 f    1 1.00
  0.1093000000E+01  0.1000000000E+01
 f    1 1.00
  0.3640000000E+00  0.1000000000E+01

  3 0
 s   10 1.00
  0.1533000000E+05  0.5079996682E-03
  0.2299000000E+04  0.3928997434E-02
  0.5224000000E+03  0.2024298678E-01
  0.1473000000E+03  0.7918094828E-01
  0.4755000000E+02  0.2306868493E+00
  0.1676000000E+02  0.4331177171E+00
  0.6207000000E+01  0.3502597712E+00
  0.1752000000E+01  0.4272797209E-01
  0.6882000000E+00 -0.8153994674E-02
  0.2384000000E+00  0.2380998445E-02
 s   10 1.00
  0.1533000000E+05 -0.1150000604E-03
  0.2299000000E+04 -0.8950004697E-03
  0.5224000000E+03 -0.4636002433E-02
  0.1473000000E+03 -0.1872400983E-01
  0.4755000000E+02 -0.5846303068E-01
  0.1676000000E+02 -0.1364630716E+00
  0.6207000000E+01 -0.1757400922E+00
  0.1752000000E+01  0.1609340845E+00
  0.6882000000E+00  0.6034183167E+00
  0.2384000000E+00  0.3787651988E+00
 s   10 1.00
  0.1533000000E+05  0.0000000000E+00
  0.2299000000E+04  0.0000000000E+00
  0.5224000000E+03  0.0000000000E+00
  0.1473000000E+03  0.0000000000E+00
  0.4755000000E+02  0.0000000000E+00
  0.1676000000E+02  0.0000000000E+00
  0.6207000000E+01  0.0000000000E+00
  0.1752000000E+01  0.1000000000E+01
  0.6882000000E+00  0.0000000000E+00
  0.2384000000E+00  0.0000000000E+00
 s   10 1.00
  0.1533000000E+05  0.0000000000E+00
  0.2299000000E+04  0.0000000000E+00
  0.5224000000E+03  0.0000000000E+00
  0.1473000000E+03  0.0000000000E+00
  0.4755000000E+02  0.0000000000E+00
  0.1676000000E+02  0.0000000000E+00
  0.6207000000E+01  0.0000000000E+00
  0.1752000000E+01  0.0000000000E+00
  0.6882000000E+00  0.0000000000E+00
  0.2384000000E+00  0.1000000000E+01
 s    1 1.00
  0.7376000000E-01  0.1000000000E+01
 p    5 1.00
  0.3446000000E+02  0.1592799074E-01
  0.7749000000E+01  0.9973994203E-01
  0.2280000000E+01  0.3104918195E+00
  0.7156000000E+00  0.4910257146E+00
  0.2140000000E+00  0.3363368045E+00
 p    5 1.00
  0.3446000000E+02  0.0000000000E+00
  0.7749000000E+01  0.0000000000E+00
  0.2280000000E+01  0.0000000000E+00
  0.7156000000E+00  0.1000000000E+01
  0.2140000000E+00  0.0000000000E+00
 p    5 1.00
  0.3446000000E+02  0.0000000000E+00
  0.7749000000E+01  0.0000000000E+00
  0.2280000000E+01  0.0000000000E+00
  0.7156000000E+00  0.0000000000E+00
  0.2140000000E+00  0.1000000000E+01
 p    1 1.00
  0.5974000000E-01  0.1000000000E+01
 d    1 1.00
  0.2314000000E+01  0.1000000000E+01
 d    1 1.00
  0.6450000000E+00  0.1000000000E+01
 d    1 1.00
  0.2140000000E+00  0.1000000000E+01
 f    1 1.00
  0.1428000000E+01  0.1000000000E+01
 f    1 1.00
  0.5000000000E+00  0.1000000000E+01


[MO]
 Ene=     -20.6585
 Spin= Alpha
 Occup=   2.000000
   1   0.000006
   2  -0.000027
   3  -0.000243
   4  -0.005555
   5  -0.001946
   6   0.000000
   7   0.000000
   8  -0.000207
   9   0.000000
  10   0.000000
  11   0.000468
  12   0.000000
  13   0.000000
  14  -0.001249
  15   0.000000
  16   0.000000
  17  -0.000332
  18   0.000000
  19   0.000000
  20   0.000001
  21   0.000000
  22   0.000000
  23   0.000000
  24  -0.000069
  25  -0.000069
  26   0.000138
  27   0.000000
  28   0.000000
  29   0.000000
  30  -0.000023
  31  -0.000023
  32   0.000045
  33   0.000000
  34   0.000000
  35   0.000000
  36   0.000000
  37   0.000000
  38   0.000001
  39   0.000000
  40   0.000000
  41  -0.000007
  42   0.000000
  43   0.000000
  44  -0.000007
  45   0.000000
  46   0.000000
  47   0.000000
  48   0.000007
  49   0.000000
  50   0.000000
  51  -0.000050
  52   0.000000
  53   0.000000
  54  -0.000050
  55   0.000000
  56   0.000651
  57   0.002069
  58  -0.000707
  59   0.005605
  60   0.003502
  61   0.000000
  62   0.000000
  63   0.000054
  64   0.000000
  65   0.000000
  66   0.004238
  67   0.000000
  68   0.000000
  69  -0.004328
  70   0.000000
  71   0.000000
  72  -0.000104
  73  -0.000026
  74  -0.000026
  75   0.000051
  76   0.000000
  77   0.000000
  78   0.000000
  79  -0.000177
  80  -0.000177
  81   0.000355
  82   0.000000
  83   0.000000
  84   0.000000
  85  -0.000089
  86  -0.000089
  87   0.000178
  88   0.000000
  89   0.000000
  90   0.000000
  91   0.000000
  92   0.000000
  93   0.000004
  94   0.000000
  95   0.000000
  96  -0.000028
  97   0.000000
  98   0.000000
  99  -0.000028
 100   0.000000
 101   0.000000
 102   0.000000
 103   0.000002
 104   0.000000
 105   0.000000
 106  -0.000015
 107   0.000000
 108   0.000000
 109  -0.000015
 110   0.000000
 111   0.998389
 112  -0.004123
 113   0.001707
 114   0.000703
 115  -0.001844
 116   0.000000
 117   0.000000
 118  -0.007065
 119   0.000000
 120   0.000000
 121   0.007121
 122   0.000000
 123   0.000000
 124   0.003126
 125   0.000000
 126   0.000000
 127   0.000265
 128  -0.000013
 129  -0.000013
 130   0.000027
 131   0.000000
 132   0.000000
 133   0.000000
 134   0.000171
 135   0.000171
 136  -0.000341
 137   0.000000
 138   0.000000
 139   0.000000
 140   0.000033
 141   0.000033
 142  -0.000067
 143   0.000000
 144   0.000000
 145   0.000000
 146   0.000000
 147   0.000000
 148   0.000002
 149   0.000000
 150   0.000000
 151  -0.000018
 152   0.000000
 153   0.000000
 154  -0.000018
 155   0.000000
 156   0.000000
 157   0.000000
 158   0.000008
 159   0.000000
 160   0.000000
 161  -0.000063
 162   0.000000
 163   0.000000
 164  -0.000063
 165   0.000000
 Ene=     -15.8462
 Spin= Alpha
 Occup=   2.000000
   1   0.009006
   2  -0.000120
   3   0.000477
   4  -0.013559
   5  -0.006297
   6   0.000000
   7   0.000000
   8   0.001166
   9   0.000000
  10   0.000000
  11  -0.002129
  12   0.000000
  13   0.000000
  14  -0.006837
  15   0.000000
  16   0.000000
  17  -0.001160
  18   0.000018
  19   0.000018
  20  -0.000036
  21   0.000000
  22   0.000000
  23   0.000000
  24   0.000135
  25   0.000135
  26  -0.000269
  27   0.000000
  28   0.000000
  29   0.000000
  30   0.000102
  31   0.000102
  32  -0.000203
  33   0.000000
  34   0.000000
  35   0.000000
  36   0.000000
  37   0.000000
  38  -0.000006
  39   0.000000
  40   0.000000
  41   0.000047
  42   0.000000
  43   0.000000
  44   0.000047
  45   0.000000
  46   0.000000
  47   0.000000
  48  -0.000007
  49   0.000000
  50   0.000000
  51   0.000055
  52   0.000000
  53   0.000000
  54   0.000055
  55   0.000000
  56   0.999526
  57   0.000510
  58   0.001275
  59   0.009865
  60   0.006532
  61   0.000000
  62   0.000000
  63   0.001929
  64   0.000000
  65   0.000000
  66  -0.004634
  67   0.000000
  68   0.000000
  69  -0.007869
  70   0.000000
  71   0.000000
  72  -0.001207
  73  -0.000095
  74  -0.000095
  75   0.000190
  76   0.000000
  77   0.000000
  78   0.000000
  79   0.000056
  80   0.000056
  81  -0.000112
  82   0.000000
  83   0.000000
  84   0.000000
  85  -0.000132
  86  -0.000132
  87   0.000264
  88   0.000000
  89   0.000000
  90   0.000000
  91   0.000000
  92   0.000000
  93  -0.000007
  94   0.000000
  95   0.000000
  96   0.000050
  97   0.000000
  98   0.000000
  99   0.000050
 100   0.000000
 101   0.000000
 102   0.000000
 103  -0.000003
 104   0.000000
 105   0.000000
 106   0.000020
 107   0.000000
 108   0.000000
 109   0.000020
 110   0.000000
 111   0.000221
 112   0.001567
 113  -0.000243
 114   0.002124
 115  -0.000052
 116   0.000000
 117   0.000000
 118  -0.000506
 119   0.000000
 120   0.000000
 121  -0.001081
 122   0.000000
 123   0.000000
 124  -0.001521
 125   0.000000
 126   0.000000
 127   0.000133
 128  -0.000010
 129  -0.000010
 130   0.000021
 131   0.000000
 132   0.000000
 133   0.000000
 134  -0.000031
 135  -0.000031
 136   0.000062
 137   0.000000
 138   0.000000
 139   0.000000
 140  -0.000035
 141  -0.000035
 142   0.000070
 143   0.000000
 144   0.000000
 145   0.000000
 146   0.000000
 147   0.000000
 148   0.000001
 149   0.000000
 150   0.000000
 151  -0.000010
 152   0.000000
 153   0.000000
 154  -0.000010
 155   0.000000
 156   0.000000
 157   0.000000
 158   0.000002
 159   0.000000
 160   0.000000
 161  -0.000018
 162   0.000000
 163   0.000000
 164  -0.000018
 165   0.000000
 Ene=     -15.6997
 Spin= Alpha
 Occup=   2.000000
   1   0.999777
   2   0.000556
   3   0.001045
   4   0.011382
   5  -0.001708
   6   0.000000
   7   0.000000
   8   0.008282
   9   0.000000
  10   0.000000
  11  -0.005066
  12   0.000000
  13   0.000000
  14   0.001762
  15   0.000000
  16   0.000000
  17  -0.000244
  18  -0.000072
  19  -0.000072
  20   0.000143
  21   0.000000
  22   0.000000
  23   0.000000
  24   0.000077
  25   0.000077
  26  -0.000153
  27   0.000000
  28   0.000000
  29   0.000000
  30  -0.000045
  31  -0.000045
  32   0.000091
  33   0.000000
  34   0.000000
  35   0.000000
  36   0.000000
  37   0.000000
  38   0.000003
  39   0.000000
  40   0.000000
  41  -0.000019
  42   0.000000
  43   0.000000
  44  -0.000019
  45   0.000000
  46   0.000000
  47   0.000000
  48  -0.000008
  49   0.000000
  50   0.000000
  51   0.000060
  52   0.000000
  53   0.000000
  54   0.000060
  55   0.000000
  56  -0.008855
  57   0.002474
  58   0.000179
  59  -0.011420
  60   0.002432
  61   0.000000
  62   0.000000
  63  -0.001451
  64   0.000000
  65   0.000000
  66   0.000186
  67   0.000000
  68   0.000000
  69   0.010301
  70   0.000000
  71   0.000000
  72  -0.000480
  73   0.000000
  74   0.000000
  75   0.000001
  76   0.000000
  77   0.000000
  78   0.000000
  79   0.000065
  80   0.000065
  81  -0.000130
  82   0.000000
  83   0.000000
  84   0.000000
  85  -0.000035
  86  -0.000035
  87   0.000069
  88   0.000000
  89   0.000000
  90   0.000000
  91   0.000000
  92   0.000000
  93   0.000009
  94   0.000000
  95   0.000000
  96  -0.000067
  97   0.000000
  98   0.000000
  99  -0.000067
 100   0.000000
 101   0.000000
 102   0.000000
 103   0.000022
 104   0.000000
 105   0.000000
 106  -0.000162
 107   0.000000
 108   0.000000
 109  -0.000162
 110   0.000000
 111  -0.000508
 112  -0.001640
 113   0.000265
 114  -0.002392
 115  -0.000708
 116   0.000000
 117   0.000000
 118   0.000058
 119   0.000000
 120   0.000000
 121   0.000455
 122   0.000000
 123   0.000000
 124  -0.000869
 125   0.000000
 126   0.000000
 127   0.000194
 128   0.000008
 129   0.000008
 130  -0.000017
 131   0.000000
 132   0.000000
 133   0.000000
 134  -0.000002
 135  -0.000002
 136   0.000004
 137   0.000000
 138   0.000000
 139   0.000000
 140  -0.000093
 141  -0.000093
 142   0.000186
 143   0.000000
 144   0.000000
 145   0.000000
 146   0.000000
 147   0.000000
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