[Molden Format]
[Molpro variables]
NUMVAR=                     65.0000000000000000
EV=                      0.0367493088676916
KELVIN=                      0.0000031668288611
KJOULE=                      0.0003808798324129
KJOULE/MOL=                      0.0003808798324129
KCAL=                      0.0015936011178156
KCAL/MOL=                      0.0015936011178156
CM=                      0.0000045563352673
CM-1=                      0.0000045563352673
HZ=                      0.0000000000000002
HERTZ=                      0.0000000000000002
ANG=                      1.8897259885789233
ANGSTROM=                      1.8897259885789233
TOEV=                     27.2113961000000018
TOK=                 315773.2999999999880000
TOKELVIN=                 315773.2999999999880000
TOCM=                 219474.6306700000130000
TOHERTZ=       6579683899900000.0000000000000000
TOHZ=       6579683899900000.0000000000000000
TOKJ=                   2625.5000000000000000
TOKJOULE=                   2625.5000000000000000
TOKCAL=                    627.5095999999999780
TOA=                      0.5291772490000000
TOANG=                      0.5291772490000000
TODEBYE=                      2.5415800000000002
PI=                      3.1415926535897931
ORBITAL=                   2100.1999999999998200
INTDONE=TRUE
SCFDONE=TRUE
GRADONE=FALSE
VERSION=                   2000.0000000000000000
NPROC_SMP=                      1.0000000000000000
NPROC_MPP=                      1.0000000000000000
RNN=                      1.0940000000000001
BASIS=AVTZ
ENERGY=                   -108.9853765283492490
DMX=                      0.0000000000000000
DMY=                      0.0000000000000000
DMZ=                      0.0000000000000000
ITERATIONS=                      8.0000000000000000
DIRECT=FALSE
INTYP=INTS
BASINP=                    600.0000000000000000
GEOMTYP=ZMAT
GRADMETHOD=TRUE
PGROUP=D2h
ENUC=                     23.7017232184643483
NELEC=                     14.0000000000000000
SPIN=                      0.0000000000000000
SEIG_MIN=                      0.0000691087054909
GRADTYP=ALASKA
STATUS=                      1.0000000000000000
PROGRAM=RHF-SCF
CPUSTEP=                      0.1200000000000001
SYSSTEP=                      0.1900000000000000
WALLSTEP=                      0.3000000000000000
CPUTOT=                      3.4900000000000002
SYSTOT=                      0.6000000000000000
WALLTOT=                      4.1500000000000004
LASTSPIN=                      0.0000000000000000
LASTNELEC=                     14.0000000000000000
LASTSYM=                      1.0000000000000000
LASTORB=RHF
GRADEXFAC=TRUE
FOCKDONE=TRUE
[Atoms] Angs
N     1    7         0.0000000000        0.0000000000       -0.5470000000
N     2    7         0.0000000000        0.0000000000        0.5470000000
[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


[MO]
 Ene=     -15.6842
 Spin= Alpha
 Occup=   2.000000
   1   0.70684909309
   2   0.00098388263
   3   0.00087150876
   4  -0.00057831021
   5  -0.00026899654
   6   0.00000000000
   7   0.00000000000
   8   0.00510880245
   9   0.00000000000
  10   0.00000000000
  11  -0.00287793241
  12   0.00000000000
  13   0.00000000000
  14  -0.00169538463
  15   0.00000000000
  16   0.00000000000
  17   0.00013248533
  18  -0.00005114326
  19  -0.00005114326
  20   0.00010228652
  21   0.00000000000
  22   0.00000000000
  23   0.00000000000
  24   0.00006042936
  25   0.00006042936
  26  -0.00012085873
  27   0.00000000000
  28   0.00000000000
  29   0.00000000000
  30  -0.00002458761
  31  -0.00002458761
  32   0.00004917522
  33   0.00000000000
  34   0.00000000000
  35   0.00000000000
  36   0.00000000000
  37   0.00000000000
  38  -0.00000243206
  39   0.00000000000
  40   0.00000000000
  41   0.00001824047
  42   0.00000000000
  43   0.00000000000
  44   0.00001824047
  45   0.00000000000
  46   0.00000000000
  47   0.00000000000
  48  -0.00000455690
  49   0.00000000000
  50   0.00000000000
  51   0.00003417672
  52   0.00000000000
  53   0.00000000000
  54   0.00003417672
  55   0.00000000000
  56   0.70684909309
  57   0.00098388263
  58   0.00087150876
  59  -0.00057831021
  60  -0.00026899654
  61   0.00000000000
  62   0.00000000000
  63  -0.00510880245
  64   0.00000000000
  65   0.00000000000
  66   0.00287793241
  67   0.00000000000
  68   0.00000000000
  69   0.00169538463
  70   0.00000000000
  71   0.00000000000
  72  -0.00013248533
  73  -0.00005114326
  74  -0.00005114326
  75   0.00010228652
  76   0.00000000000
  77   0.00000000000
  78   0.00000000000
  79   0.00006042936
  80   0.00006042936
  81  -0.00012085873
  82   0.00000000000
  83   0.00000000000
  84   0.00000000000
  85  -0.00002458761
  86  -0.00002458761
  87   0.00004917522
  88   0.00000000000
  89   0.00000000000
  90   0.00000000000
  91   0.00000000000
  92   0.00000000000
  93   0.00000243206
  94   0.00000000000
  95   0.00000000000
  96  -0.00001824047
  97   0.00000000000
  98   0.00000000000
  99  -0.00001824047
 100   0.00000000000
 101   0.00000000000
 102   0.00000000000
 103   0.00000455690
 104   0.00000000000
 105   0.00000000000
 106  -0.00003417672
 107   0.00000000000
 108   0.00000000000
 109  -0.00003417672
 110   0.00000000000
 Ene=     -15.6806
 Spin= Alpha
 Occup=   2.000000
   1   0.70670836141
   2  -0.00102907304
   3   0.00054841865
   4   0.02043454278
   5   0.00412649343
   6   0.00000000000
   7   0.00000000000
   8   0.00311469892
   9   0.00000000000
  10   0.00000000000
  11  -0.00060098296
  12   0.00000000000
  13   0.00000000000
  14   0.00789390213
  15   0.00000000000
  16   0.00000000000
  17   0.00072401364
  18  -0.00006685382
  19  -0.00006685382
  20   0.00013370764
  21   0.00000000000
  22   0.00000000000
  23   0.00000000000
  24  -0.00008636485
  25  -0.00008636485
  26   0.00017272969
  27   0.00000000000
  28   0.00000000000
  29   0.00000000000
  30  -0.00013536129
  31  -0.00013536129
  32   0.00027072259
  33   0.00000000000
  34   0.00000000000
  35   0.00000000000
  36   0.00000000000
  37   0.00000000000
  38   0.00000863924
  39   0.00000000000
  40   0.00000000000
  41  -0.00006479430
  42   0.00000000000
  43   0.00000000000
  44  -0.00006479430
  45   0.00000000000
  46   0.00000000000
  47   0.00000000000
  48   0.00000021312
  49   0.00000000000
  50   0.00000000000
  51  -0.00000159841
  52   0.00000000000
  53   0.00000000000
  54  -0.00000159841
  55   0.00000000000
  56  -0.70670836141
  57   0.00102907304
  58  -0.00054841865
  59  -0.02043454278
  60  -0.00412649343
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  62   0.00000000000
  63   0.00311469892
  64   0.00000000000
  65   0.00000000000
  66  -0.00060098296
  67   0.00000000000
  68   0.00000000000
  69   0.00789390213
  70   0.00000000000
  71   0.00000000000
  72   0.00072401364
  73   0.00006685382
  74   0.00006685382
  75  -0.00013370764
  76   0.00000000000
  77   0.00000000000
  78   0.00000000000
  79   0.00008636485
  80   0.00008636485
  81  -0.00017272969
  82   0.00000000000
  83   0.00000000000
  84   0.00000000000
  85   0.00013536129
  86   0.00013536129
  87  -0.00027072259
  88   0.00000000000
  89   0.00000000000
  90   0.00000000000
  91   0.00000000000
  92   0.00000000000
  93   0.00000863924
  94   0.00000000000
  95   0.00000000000
  96  -0.00006479430
  97   0.00000000000
  98   0.00000000000
  99  -0.00006479430
 100   0.00000000000
 101   0.00000000000
 102   0.00000000000
 103   0.00000021312
 104   0.00000000000
 105   0.00000000000
 106  -0.00000159841
 107   0.00000000000
 108   0.00000000000
 109  -0.00000159841
 110   0.00000000000
 Ene=      -1.4752
 Spin= Alpha
 Occup=   2.000000
   1  -0.01807135142
   2   0.63248448094
   3  -0.00341253934
   4  -0.13780349297
   5  -0.00672353638
   6   0.00000000000
   7   0.00000000000
   8   0.34534869035
   9   0.00000000000
  10   0.00000000000
  11  -0.03945529457
  12   0.00000000000
  13   0.00000000000
  14  -0.12513784626
  15   0.00000000000
  16   0.00000000000
  17  -0.01094645691
  18  -0.00197519605
  19  -0.00197519605
  20   0.00395039209
  21   0.00000000000
  22   0.00000000000
  23   0.00000000000
  24  -0.00145697383
  25  -0.00145697383
  26   0.00291394766
  27   0.00000000000
  28   0.00000000000
  29   0.00000000000
  30   0.00159927184
  31   0.00159927184
  32  -0.00319854368
  33   0.00000000000
  34   0.00000000000
  35   0.00000000000
  36   0.00000000000
  37   0.00000000000
  38   0.00012884886
  39   0.00000000000
  40   0.00000000000
  41  -0.00096636649
  42   0.00000000000
  43   0.00000000000
  44  -0.00096636649
  45   0.00000000000
  46   0.00000000000
  47   0.00000000000
  48  -0.00007054818
  49   0.00000000000
  50   0.00000000000
  51   0.00052911138
  52   0.00000000000
  53   0.00000000000
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  55   0.00000000000
  56  -0.01807135142
  57   0.63248448094
  58  -0.00341253934
  59  -0.13780349297
  60  -0.00672353638
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  63  -0.34534869035
  64   0.00000000000
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  66   0.03945529457
  67   0.00000000000
  68   0.00000000000
  69   0.12513784626
  70   0.00000000000
  71   0.00000000000
  72   0.01094645691
  73  -0.00197519605
  74  -0.00197519605
  75   0.00395039209
  76   0.00000000000
  77   0.00000000000
  78   0.00000000000
  79  -0.00145697383
  80  -0.00145697383
  81   0.00291394766
  82   0.00000000000
  83   0.00000000000
  84   0.00000000000
  85   0.00159927184
  86   0.00159927184
  87  -0.00319854368
  88   0.00000000000
  89   0.00000000000
  90   0.00000000000
  91   0.00000000000
  92   0.00000000000
  93  -0.00012884886
  94   0.00000000000
  95   0.00000000000
  96   0.00096636649
  97   0.00000000000
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  99   0.00096636649
 100   0.00000000000
 101   0.00000000000
 102   0.00000000000
 103   0.00007054818
 104   0.00000000000
 105   0.00000000000
 106  -0.00052911138
 107   0.00000000000
 108   0.00000000000
 109  -0.00052911138
 110   0.00000000000
 Ene=      -0.7786
 Spin= Alpha
 Occup=   2.000000
   1  -0.00436472700
   2  -0.65676788082
   3  -0.00011038756
   4  -0.21999336799
   5  -0.03851418504
   6   0.00000000000
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   8   0.32288885666
   9   0.00000000000
  10   0.00000000000
  11  -0.02189358080
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  14  -0.11404984219
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  16   0.00000000000
  17  -0.00137225743
  18  -0.00030035263
  19  -0.00030035263
  20   0.00060070526
  21   0.00000000000
  22   0.00000000000
  23   0.00000000000
  24  -0.00012899865
  25  -0.00012899865
  26   0.00025799730
  27   0.00000000000
  28   0.00000000000
  29   0.00000000000
  30   0.00129421747
  31   0.00129421747
  32  -0.00258843493
  33   0.00000000000
  34   0.00000000000
  35   0.00000000000
  36   0.00000000000
  37   0.00000000000
  38  -0.00001809373
  39   0.00000000000
  40   0.00000000000
  41   0.00013570300
  42   0.00000000000
  43   0.00000000000
  44   0.00013570300
  45   0.00000000000
  46   0.00000000000
  47   0.00000000000
  48   0.00000493971
  49   0.00000000000
  50   0.00000000000
  51  -0.00003704781
  52   0.00000000000
  53   0.00000000000
  54  -0.00003704781
  55   0.00000000000
  56   0.00436472700
  57   0.65676788082
  58   0.00011038756
  59   0.21999336799
  60   0.03851418504
  61   0.00000000000
  62   0.00000000000
  63   0.32288885666
  64   0.00000000000
  65   0.00000000000
  66  -0.02189358080
  67   0.00000000000
  68   0.00000000000
  69  -0.11404984219
  70   0.00000000000
  71   0.00000000000
  72  -0.00137225743
  73   0.00030035263
  74   0.00030035263
  75  -0.00060070526
  76   0.00000000000
  77   0.00000000000
  78   0.00000000000
  79   0.00012899865
  80   0.00012899865
  81  -0.00025799730
  82   0.00000000000
  83   0.00000000000
  84   0.00000000000
  85  -0.00129421747
  86  -0.00129421747
  87   0.00258843493
  88   0.00000000000
  89   0.00000000000
  90   0.00000000000
  91   0.00000000000
  92   0.00000000000
  93  -0.00001809373
  94   0.00000000000
  95   0.00000000000
  96   0.00013570300
  97   0.00000000000
  98   0.00000000000
  99   0.00013570300
 100   0.00000000000
 101   0.00000000000
 102   0.00000000000
 103   0.00000493971
 104   0.00000000000
 105   0.00000000000
 106  -0.00003704781
 107   0.00000000000
 108   0.00000000000
 109  -0.00003704781
 110   0.00000000000
 Ene=      -0.6350
 Spin= Alpha
 Occup=   2.000000
   1  -0.00481407505
   2  -0.24122770378
   3   0.00182672025
   4  -0.14491628162
   5  -0.02789986026
   6   0.00000000000
   7   0.00000000000
   8   0.69816535158
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 Ene=       0.1171
 Spin= Alpha
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 Ene=       0.1184
 Spin= Alpha
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 Ene=       0.1184
 Spin= Alpha
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 Ene=       0.1252
 Spin= Alpha
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 109   0.00000000000
 110   0.00000000000
 Ene=       0.1252
 Spin= Alpha
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 109   0.00000000000
 110   0.00000000000
 Ene=       0.1602
 Spin= Alpha
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 107   0.00000000000
 108   0.00000000000
 109   0.00690416066
 110   0.00000000000
 Ene=       0.2103
 Spin= Alpha
 Occup=   0.000000
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 107   0.00000000000
 108  -0.01676325663
 109   0.00000000000
 110   0.00000000000
 Ene=       0.2103
 Spin= Alpha
 Occup=   0.000000
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 105   0.00000000000
 106   0.00000000000
 107  -0.01676325663
 108   0.00000000000
 109   0.00000000000
 110   0.00000000000
 Ene=       0.2816
 Spin= Alpha
 Occup=   0.000000
   1   0.00491092124
   2  -0.17193018513
   3  -0.02636943072
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 100   0.00000000000
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 104   0.00000000000
 105   0.00000000000
 106  -0.00549728752
 107   0.00000000000
 108   0.00000000000
 109  -0.00549728752
 110   0.00000000000
 Ene=       0.4135
 Spin= Alpha
 Occup=   0.000000
   1   0.00000000000
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 100  -0.00737715543
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 106   0.00000000000
 107   0.00000000000
 108   0.00000000000
 109   0.00000000000
 110   0.00390878797
 Ene=       0.4135
 Spin= Alpha
 Occup=   0.000000
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 106   0.00065146466
 107   0.00000000000
 108   0.00000000000
 109  -0.00065146466
 110   0.00000000000
 Ene=       0.4788
 Spin= Alpha
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 Ene=       0.5329
 Spin= Alpha
 Occup=   0.000000
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 Ene=       0.5693
 Spin= Alpha
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 Ene=       0.5693
 Spin= Alpha
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 107   0.02930108470
 108   0.00000000000
 109   0.00000000000
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 Ene=       0.5789
 Spin= Alpha
 Occup=   0.000000
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 107   0.00000000000
 108  -0.06951306046
 109   0.00000000000
 110   0.00000000000
 Ene=       0.5789
 Spin= Alpha
 Occup=   0.000000
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 107  -0.06951306046
 108   0.00000000000
 109   0.00000000000
 110   0.00000000000
 Ene=       0.5822
 Spin= Alpha
 Occup=   0.000000
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 Ene=       0.5822
 Spin= Alpha
 Occup=   0.000000
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 110   0.00000000000
 Ene=       1.2215
 Spin= Alpha
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 Ene=       1.3417
 Spin= Alpha
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 Spin= Alpha
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 Ene=       1.3720
 Spin= Alpha
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 Ene=       1.3720
 Spin= Alpha
 Occup=   0.000000
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 Ene=       1.4742
 Spin= Alpha
 Occup=   0.000000
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 Ene=       1.4742
 Spin= Alpha
 Occup=   0.000000
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 Ene=       1.5705
 Spin= Alpha
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 Spin= Alpha
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 Ene=       1.7001
 Spin= Alpha
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 Ene=       1.7043
 Spin= Alpha
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 Ene=       1.7043
 Spin= Alpha
 Occup=   0.000000
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 110  -0.72397912260
 Ene=       1.7210
 Spin= Alpha
 Occup=   0.000000
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 Ene=       1.7210
 Spin= Alpha
 Occup=   0.000000
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 Ene=       1.7261
 Spin= Alpha
 Occup=   0.000000
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 Spin= Alpha
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 Ene=       2.3203
 Spin= Alpha
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 Ene=       2.4343
 Spin= Alpha
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  84   3.16405858701
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 106   0.00000000000
 107   0.00000000000
 108  -0.29557823308
 109   0.00000000000
 110   0.00000000000
 Ene=       2.4343
 Spin= Alpha
 Occup=   0.000000
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 106   0.00000000000
 107  -0.29557823308
 108   0.00000000000
 109   0.00000000000
 110   0.00000000000
 Ene=       2.7723
 Spin= Alpha
 Occup=   0.000000
   1   0.41624821206
   2   1.97009237539
   3   0.41858160850
   4   7.06275410859
   5   4.33984380256
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  14   3.66729994126
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  24  -0.13006176760
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  30  -0.07997782730
  31  -0.07997782730
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 107   0.00000000000
 108   0.00000000000
 109  -0.14476579262
 110   0.00000000000
 Ene=       2.7898
 Spin= Alpha
 Occup=   0.000000
   1   0.70173222187
   2   3.08275961215
   3   0.57874698125
   4  -0.58472898133
   5  -0.79123498406
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   8  -1.08904813382
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  11   1.57032640906
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  14  -3.54829803063
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  24   0.10369433197
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  26  -0.20738866394
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  30   0.16602820731
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 106  -0.09319145547
 107   0.00000000000
 108   0.00000000000
 109  -0.09319145547
 110   0.00000000000
 Ene=       3.2890
 Spin= Alpha
 Occup=   0.000000
   1   0.00000000000
   2   0.00000000000
   3   0.00000000000
   4   0.00000000000
   5   0.00000000000
   6   0.00000000000
   7  -2.39177631729
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  10   2.33390724014
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 104   0.00000000000
 105   0.00614608262
 106   0.00000000000
 107   0.00000000000
 108  -0.02458433048
 109   0.00000000000
 110   0.00000000000
 Ene=       3.2890
 Spin= Alpha
 Occup=   0.000000
   1   0.00000000000
   2   0.00000000000
   3   0.00000000000
   4   0.00000000000
   5   0.00000000000
   6  -2.39177631729
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 100   0.00000000000
 101   0.00122921652
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 104   0.00614608262
 105   0.00000000000
 106   0.00000000000
 107  -0.02458433048
 108   0.00000000000
 109   0.00000000000
 110   0.00000000000
 Ene=       4.0255
 Spin= Alpha
 Occup=   0.000000
   1   0.13504765127
   2   1.02269042788
   3   0.58442054241
   4  -0.53788303491
   5  -0.13620095887
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   8   1.41320941358
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  11  -1.16630054511
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  24   0.05461981559
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  85   0.03502296853
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 104   0.00000000000
 105   0.00000000000
 106  -0.07822166178
 107   0.00000000000
 108   0.00000000000
 109  -0.07822166178
 110   0.00000000000
 Ene=       4.2972
 Spin= Alpha
 Occup=   0.000000
   1   0.00000000000
   2   0.00000000000
   3   0.00000000000
   4   0.00000000000
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   6   1.95724995957
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  28  -1.20215925990
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 100   0.00000000000
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 104  -0.04459932826
 105   0.00000000000
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 107   0.17839731302
 108   0.00000000000
 109   0.00000000000
 110   0.00000000000
 Ene=       4.2972
 Spin= Alpha
 Occup=   0.000000
   1   0.00000000000
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   3   0.00000000000
   4   0.00000000000
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   7   1.95724995957
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 107   0.00000000000
 108   0.17839731302
 109   0.00000000000
 110   0.00000000000
 Ene=       4.3950
 Spin= Alpha
 Occup=   0.000000
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 109  -0.05718982743
 110   0.00000000000
 Ene=       4.3950
 Spin= Alpha
 Occup=   0.000000
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 Ene=       4.4947
 Spin= Alpha
 Occup=   0.000000
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 109  -0.04137906870
 110   0.00000000000
 Ene=       4.5316
 Spin= Alpha
 Occup=   0.000000
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 107  -0.13200641036
 108   0.00000000000
 109   0.00000000000
 110   0.00000000000
 Ene=       4.5316
 Spin= Alpha
 Occup=   0.000000
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 107   0.00000000000
 108  -0.13200641036
 109   0.00000000000
 110   0.00000000000
 Ene=       4.5562
 Spin= Alpha
 Occup=   0.000000
   1  -0.20909750249
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 109  -0.01775696321
 110   0.00000000000
 Ene=       4.6590
 Spin= Alpha
 Occup=   0.000000
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 Ene=       5.0791
 Spin= Alpha
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 Ene=       5.1573
 Spin= Alpha
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 Ene=       5.1573
 Spin= Alpha
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 Ene=       5.2032
 Spin= Alpha
 Occup=   0.000000
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 Ene=       5.4054
 Spin= Alpha
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 Ene=       5.4054
 Spin= Alpha
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 Ene=       5.5980
 Spin= Alpha
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 Ene=       5.5980
 Spin= Alpha
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 Ene=       5.7542
 Spin= Alpha
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 110   0.00000000000
 Ene=       5.7542
 Spin= Alpha
 Occup=   0.000000
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 Ene=       6.7539
 Spin= Alpha
 Occup=   0.000000
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 106   0.03049614166
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 108   0.00000000000
 109   0.03049614166
 110   0.00000000000
 Ene=       6.7820
 Spin= Alpha
 Occup=   0.000000
   1  -0.34237745965
   2  -0.39057892530
   3   0.52438986579
   4   5.66075909379
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 110   0.00000000000
 Ene=       6.8969
 Spin= Alpha
 Occup=   0.000000
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 110   0.00000000000
 Ene=       6.8969
 Spin= Alpha
 Occup=   0.000000
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 105   0.00000000000
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 107  -0.00067419569
 108   0.00000000000
 109   0.00000000000
 110   0.00000000000
 Ene=      10.9064
 Spin= Alpha
 Occup=   0.000000
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   2  10.31069549984
   3  -2.55143566952
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 106  -0.14845155618
 107   0.00000000000
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 109  -0.14845155618
 110   0.00000000000
 Ene=      19.4397
 Spin= Alpha
 Occup=   0.000000
   1   5.19200002208
   2  15.41215328886
   3  -4.24783746250
   4  10.11640290461
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