$CONTRL RUNTYP=GRADIENT dfttyp=b3lyp5 ECP=READ MAXIT=100 nprint=-5 
 gencon=0 $END
 $SYSTEM MWORDS=20 TIMLIM=100000 $END
 $scf dirscf=.t. $end
 $DATA
 rui
C1
Ta 73  -0.181450    0.433400   -1.596000
  S   1
   1        5.274000000          1.000000000
  S   1
   1        3.202500000          1.000000000
  S   1
   1        1.379700000          1.000000000
  S   1
   1       0.5454000000          1.000000000
  S   1
   1       0.6560000000E-01      1.000000000
  P   1
   1        2.635200000          1.000000000
  P   1
   1        1.875100000          1.000000000
  P   1
   1       0.7722000000          1.000000000
  P   1
   1       0.3749000000          1.000000000
  P   1
   1       0.1585000000          1.000000000
  D   1
   1       0.9357000000          1.000000000
  D   1
   1       0.3664000000          1.000000000
  D   1
   1       0.1505000000          1.000000000
  D   1
   1       0.6150000000E-01      1.000000000

Ta 73  -0.914150   -0.351900    1.113700
  S   1
   1        5.274000000          1.000000000
  S   1
   1        3.202500000          1.000000000
  S   1
   1        1.379700000          1.000000000
  S   1
   1       0.5454000000          1.000000000
  S   1
   1       0.6560000000E-01      1.000000000
  P   1
   1        2.635200000          1.000000000
  P   1
   1        1.875100000          1.000000000
  P   1
   1       0.7722000000          1.000000000
  P   1
   1       0.3749000000          1.000000000
  P   1
   1       0.1585000000          1.000000000
  D   1
   1       0.9357000000          1.000000000
  D   1
   1       0.3664000000          1.000000000
  D   1
   1       0.1505000000          1.000000000
  D   1
   1       0.6150000000E-01      1.000000000

Si 14   1.437750   -0.834200   -4.260600
  MC
  D   1
   1       0.450000000          1.00000000

P 15   1.617050    2.066800   -3.116800
  MC
  D   1
   1       0.550000000          1.00000000

P 15   0.336050   -0.956900    3.463700
  MC
  D   1
   1       0.550000000          1.00000000

Si 14   2.107050    1.304100    0.859700
  MC
  D   1
   1       0.450000000          1.00000000

Si 14  -1.501950    1.253800    4.143000
  MC
  D   1
   1       0.450000000          1.00000000

Si 14  -1.785950   -3.135000    2.828600
  MC
  D   1
   1       0.450000000          1.00000000

Si 14  -1.145950    3.254600   -3.463700
  MC
  D   1
   1       0.450000000          1.00000000

N 7  -2.227450   -1.853400    1.746600
  N311 6
  D   1
   1       0.913000000          1.00000000

N 7  -1.568350   -0.390600   -0.734400
  N311 6
  D   1
   1       0.913000000          1.00000000

C 6   0.092450    0.391700    4.648700
  N311 6
  D   1
   1       0.626000000          1.00000000

H 1   0.838650    1.010300    4.616000
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1   0.018250    0.041100    5.551000
  N311 6
  P   1
   1       0.750000000          1.00000000

N 7   0.752750   -1.024900   -2.673700
  N311 6
  D   1
   1       0.913000000          1.00000000

H 1  -3.110800   -1.959385    1.268499
  N311 6
  P   1
   1       0.750000000          1.00000000

N 7  -1.322350    1.661800   -2.785800
  N311 6
  D   1
   1       0.913000000          1.00000000

N 7  -1.504750    1.180500    2.401800
  N311 6
  D   1
   1       0.913000000          1.00000000

H 1  -2.702428    0.601598    4.712156
  N311 6
  P   1
   1       0.750000000          1.00000000

N 7   0.618550    0.778300    0.161500
  N311 6
  D   1
   1       0.913000000          1.00000000

H 1   2.998642    2.470587   -3.159595
  N311 6
  P   1
   1       0.750000000          1.00000000

C 6   0.697450    3.600100   -3.455400
  N311 6
  D   1
   1       0.626000000          1.00000000

H 1   0.965750    3.959100   -4.316800
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1   0.903350    4.261700   -2.777200
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1  -2.970092   -3.691688    3.520236
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1  -1.507925    2.636355    4.671167
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1  -2.228952    1.256855   -2.970767
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1  -2.065311    1.907567    1.980771
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1   2.538132    2.643031    0.399389
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1  -1.646346    3.317706   -4.855129
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1   2.792568   -1.424370   -4.341981
  N311 6
  P   1
   1       0.750000000          1.00000000

C 6   1.477750    1.011100   -4.632700
  N311 6
  D   1
   1       0.626000000          1.00000000

H 1   2.231050    1.197600   -5.214000
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1   0.669150    1.251900   -5.110800
  N311 6
  P   1
   1       0.750000000          1.00000000

C 6  -0.653850   -2.368200    4.110400
  N311 6
  D   1
   1       0.626000000          1.00000000

H 1  -1.190550   -2.058600    4.858200
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1  -0.049950   -3.048700    4.443200
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1   1.691550   -1.428691    3.580759
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1   0.726121   -1.976707   -2.336841
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1   3.184499    0.315014    0.633279
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1  -1.827949    4.275250   -2.636895
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1   0.624491   -1.527913   -5.284234
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1  -1.102729   -4.249737    2.135041
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1   0.393750   -1.655200    0.865500
  N311 6
  P   1
   1       0.750000000          1.00000000

H 1   1.844650    1.418200    2.311800
  N311 6
  P   1
   1       0.750000000          1.00000000

 $END
 $ECP
Ta-CRENBL  GEN 60    4
  6      ----- G POTENTIAL     -----
      -0.45041099  2        0.97380000
      -7.63836813  2        2.72210002
     -43.87855530  2        7.14249992
     -97.77507019  2       18.33259964
    -287.56149292  2       63.04660034
     -46.50049973  1      201.99899292
  8      ----- S-G POTENTIAL   -----
     -40.60095978  2        2.10870004
     126.83788300  2        2.46819997
    -235.24430847  2        3.29310012
     445.97167969  2        4.87939978
    -389.18530273  2        7.62050009
     355.67025757  2       12.02050018
      28.51909828  1       35.52090073
       6.77081203  0       30.82360077
  8      ----- P-G POTENTIAL   -----
      -0.09473200  2        0.57340002
      59.86339188  2        2.51550007
    -192.32298279  2        3.03670001
     388.45581055  2        4.18940020
    -359.23678589  2        6.30660009
     300.74194336  2        9.71700001
      34.81594086  1       25.63400078
       5.73217821  0       34.21419907
  8      ----- D-G POTENTIAL   -----
      -0.03177600  2        0.37210000
      37.44372940  2        1.78380001
    -120.92505646  2        2.09549999
     226.60716248  2        2.76589990
    -243.61962891  2        3.95749998
     210.83656311  2        5.68820000
      53.84714890  1       15.65960026
       6.98262882  0       43.08679962
  8      ----- F-G POTENTIAL   -----
      26.30927849  2        0.76929998
     -63.06319427  2        0.85350001
      55.48675537  2        1.00039995
     -12.49588585  2        1.13390005
      24.29885674  2        3.51349998
      89.15798187  2       10.11849976
      32.28345489  1       26.51479912
       1.07911205  0       58.97980118
Ta-CRENBL
Si-ECP NONE
P-ECP NONE
P-ECP NONE
Si-ECP NONE
Si-ECP NONE
Si-ECP NONE
Si-ECP NONE
N-ECP NONE
N-ECP NONE
C-ECP NONE
H-ECP NONE
H-ECP NONE
N-ECP NONE
H-ECP NONE
N-ECP NONE
N-ECP NONE
H-ECP NONE
N-ECP NONE
H-ECP NONE
C-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
C-ECP NONE
H-ECP NONE
H-ECP NONE
C-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
 $END