[molpro-user] {SPAM}? IS THIS A BUG?

Liu X liuxj at iccas.ac.cn
Wed Feb 2 09:15:56 GMT 2005


Dear all
There are my input and output 

***,HCO+HNO2
 memory,346,m
 file,2,050128
 print,orbital
 basis={spdf,o,avtz;c;spdf,n,avtz;c;spdf,c,avtz;c;spd,h,avtz;c}
 geometry={angstrom;nosym;
       O
       H                  1              B1
       N                  1              B2    2              A1
       O                  3              B3    1              A2    2      
D1
       C                  2              B4    3              A3    4      
D2
       H                  5              B5    1              A4    3      
D3
       O                  5              B6    1              A5    6      
D4
      }
 B1 =         1.31249660
 B2 =         1.25722742
 B3 =         1.18201352
 B4 =         1.32903547
 B5 =         1.08528492
 B6 =         1.18976818
 A1 =       106.88071478
 A2 =       118.40613247
 A3 =       141.12503195
 A4 =       110.34742463
 A5 =       123.77205222
 D1 =        -0.89253494
 D2 =         3.01301065
 D3 =        68.77481132
 D4 =       181.84874257 

rhf
multi;occ,24;closed,9;wf,39,1,1
ci;occ,24;core,5;closed,9;wf,39,1,1
 --- 

****************************************************************************
******************************************************

1PROGRAM * CI (Multireference internally contracted CI)     Authors: H.-J.
Werner, P.J. Knowles, 1987


TOO MANY ACTIVE ORBITALS: 19 THIS VERSION ALLOWS 16

ERROR EXIT
CURRENT STACK:      CIINP  CIPRO  MAIN


**************************************************
I have already gave the CLOSED card in CI
closed is 9 and occ is 24, thus active is only 15
why the program said 19 active orbitals? 

Thank you
Best regards!
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