[molpro-user] caspt2

[Perry, Jamin W. (MU-Student)]

Below I have supplied the input and the outputted error message. If anyone has insight I would be greatly appreciative. 

Thanks

Jamin
 
INPUT***********************************************************************************
 memory,150,m
 Gprint,orbitals,civector
 geomtyp=zmat

 geometry={
 ang
 N1,
 N2  N1,1.42815798,
 O1  N2,1.27900688,N1  114.95481438,
 O2  N2,1.30590223  ,N1  121.06765516,O1  180.00000000
 C   N1,1.27152217  ,N2  116.17383899,O1  180.00000000
 H1  C,1.07308636  ,N1  124.40659738,N2  0.0000000000
 H2  C,1.07059413  ,N1  115.84334884,N2  180.00000000
 }

 basis=vtz
 hf;
        !
 multi;occ,27;closed,19;maxiter,1000
 rs2c;maxiter,1000
 opt,zmat,qsd;maxit,75;
 frequencies;thermo,sym=Cs;print,thermo
 put,molden,casmn333.molden;

ERROR*****************************************************************************************************
1PROGRAM * RS2C (Multireference RS Perturbation Theory)     Authors: H.-J. Werner (1993), P. Celani (1998)


 Convergence thresholds:  THRVAR = 1.00D-06  THRDEN = 1.00D-08

 Number of optimized states:  1  Roots:   1
 Number of reference states:  1  Roots:   1

 Reference symmetry:               1   Singlet
 Maximum shell in reference space  1
 Maximum shell inside CICON        4

 WARNING !!! nshlx is   0 but ImaxQTspace is   1
 nshlx is set to ImaxQTspace

 Maximum number of shells reduced from  4 to  1
 Maximum number of spin couplings:      1

 Reference space:        1 conf        1 CSFs
 N elec internal:        0 conf        0 CSFs
 N-1 el internal:        0 conf        0 CSFs
 N-2 el internal:        0 conf        0 CSFs

 Number of electrons in valence space:                     28
 Maximum number of open shell orbitals in reference space:  0
 Maximum number of open shell orbitals in internal spaces:  0


 Number of core orbitals:           5 (   5   0 )
 Number of closed-shell orbitals:  14 (  14   0 )
 Number of active  orbitals:        8 (   8   0 )
 Number of external orbitals:     151 (  93  58 )

 Molecular orbitals read from record     2140.2  Type=MCSCF/NATURAL (state 1.1)

 Coulomb and exchange operators available. No transformation done.

 Number of p-space configurations:   1
 Closed shell energy (with core excluded) is       -144.35187488
 MATCHING ERROR IN ICLIST, ISHELL,IR:            1            1
 ICONRR    1                  00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
 00 00 00 00 00 00