$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