
Alex Granovsky
gran@classic.chem.msu.su
your input is incorrectly formatted. Replace
$END
$ECP
C-ECP NONE
C-ECP
C-ECP
C-ECP
C-ECP
C-ECP
H-ECP NONE
H-ECP
H-ECP
H-ECP
C-ECP
H-ECP
H-ECP
H-ECP
N-ECP NONE
C-ECP
C-ECP
H-ECP
H-ECP
C-ECP
H-ECP
H-ECP
H-ECP
H-ECP
C-ECP
H-ECP
H-ECP
H-ECP
N-ECP
C-ECP
C-ECP
C-ECP
C-ECP
H-ECP
C-ECP
H-ECP
C-ECP
H-ECP
H-ECP
C-ECP
H-ECP
H-ECP
H-ECP
N-ECP
C-ECP
C-ECP
H-ECP
H-ECP
C-ECP
H-ECP
H-ECP
H-ECP
H-ECP
C-ECP
H-ECP
H-ECP
H-ECP
N-ECP
CO-ECP GEN 10 2
3 ----- d-ul potential -----
-10.0000000 1 434.1076104
-66.7240276 2 78.8402758
-11.7192243 2 19.6037749
4 ----- s-ul potential -----
3.0000000 0 151.2307582
20.1553110 1 169.6790026
413.3762244 2 64.9909423
133.8727705 2 12.5076287
4 ----- p-ul potential -----
5.0000000 0 92.7319924
6.1892353 1 121.1910183
326.3215919 2 48.6265909
73.8788970 2 11.9966971
CO-ECP
O-ECP NONE
C-ECP
H-ECP
H-ECP
H-ECP
N-ECP
C-ECP
S-ECP GEN 10 2
5 ----- d-ul potential -----
-10.0000000 1 532.6685222
-85.3593846 2 108.1342248
-30.4513290 2 24.5697664
-10.3745886 2 7.3702438
-0.9899295 2 2.3712569
5 ----- s-ul potential -----
3.0000000 0 106.3176781
10.6284036 1 100.8245833
223.6360469 2 53.5858472
93.6460845 2 15.3706332
28.7609065 2 3.1778402
6 ----- p-ul potential -----
5.0000000 0 101.9709185
6.0969842 1 93.2808973
285.4425500 2 65.1431772
147.1448413 2 24.6347440
53.6569778 2 7.8120535
8.9249559 2 2.3112730
N-ECP
C-ECP
S-ECP
N-ECP
C-ECP
S-ECP
$END
by
$END
$ECP
C-ECP NONE
C-ECP
C-ECP
C-ECP
C-ECP
C-ECP
H-ECP NONE
H-ECP
H-ECP
H-ECP
C-ECP
H-ECP
H-ECP
H-ECP
N-ECP NONE
C-ECP
C-ECP
H-ECP
H-ECP
C-ECP
H-ECP
H-ECP
H-ECP
H-ECP
C-ECP
H-ECP
H-ECP
H-ECP
N-ECP
C-ECP
C-ECP
C-ECP
C-ECP
H-ECP
C-ECP
H-ECP
C-ECP
H-ECP
H-ECP
C-ECP
H-ECP
H-ECP
H-ECP
N-ECP
C-ECP
C-ECP
H-ECP
H-ECP
C-ECP
H-ECP
H-ECP
H-ECP
H-ECP
C-ECP
H-ECP
H-ECP
H-ECP
N-ECP
CO-ECP GEN 10 2
3 ----- d-ul potential -----
-10.0000000 1 434.1076104
-66.7240276 2 78.8402758
-11.7192243 2 19.6037749
4 ----- s-ul potential -----
3.0000000 0 151.2307582
20.1553110 1 169.6790026
413.3762244 2 64.9909423
133.8727705 2 12.5076287
4 ----- p-ul potential -----
5.0000000 0 92.7319924
6.1892353 1 121.1910183
326.3215919 2 48.6265909
73.8788970 2 11.9966971
CO-ECP
O-ECP NONE
C-ECP
H-ECP
H-ECP
H-ECP
N-ECP
C-ECP
S-ECP GEN 10 2
5 ----- d-ul potential -----
-10.0000000 1 532.6685222
-85.3593846 2 108.1342248
-30.4513290 2 24.5697664
-10.3745886 2 7.3702438
-0.9899295 2 2.3712569
5 ----- s-ul potential -----
3.0000000 0 106.3176781
10.6284036 1 100.8245833
223.6360469 2 53.5858472
93.6460845 2 15.3706332
28.7609065 2 3.1778402
6 ----- p-ul potential -----
5.0000000 0 101.9709185
6.0969842 1 93.2808973
285.4425500 2 65.1431772
147.1448413 2 24.6347440
53.6569778 2 7.8120535
8.9249559 2 2.3112730
N-ECP
C-ECP
S-ECP
N-ECP
C-ECP
S-ECP
$END
Kind regards,
Alex Granovsky
On Tue Mar 31 '15 2:20am, Amir Nasser Shamkhali wrote
-----------------------------------------------------
>Dear all
>I read all of the posts about ECP input and I made an input. But my input gives this error:
>****ERROR**** NO $ECP GROUP FOUND FOR ECP=READ
>I attach my input file. Please help me what can I do for this problem.
>Thanks for your attention.