CADPAC Gradient Error in Optimization

[OISHEE PAL]

Dear all,

I was calculating optimization for S2/S1 conical intersection in Molpro-2015 version using the following input file.

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memory,20000,M

file,2,test.wfu
geometry={
C        3.311874267     -2.156144648      0.000100512
C        4.138785504     -1.066819270      0.000090057
C        1.888462988     -1.973641734     -0.000001975
C        3.634376391      0.257097050     -0.000022158
C        2.229747323      0.465291864     -0.000124287
N        1.444525812     -0.652888468     -0.000110243
N        4.554441807      1.341238949     -0.000016596
N        1.615639496      1.647732143     -0.000237809
H        2.224177579      2.458813064     -0.000266340
H        0.593109303      1.726336338     -0.000285014
H        0.414545632     -0.530266308     -0.000189474
H        5.219693268     -1.183463875      0.000172155
H        3.689573056     -3.174489284      0.000185906
O        1.046447996     -2.894821810     -0.000002938
O        5.763572321      1.090356931      0.000133237
O        4.113082858      2.511613605      0.000011514
C       -1.945456864      0.862550762     -0.000107827
N       -1.436459813     -0.401713456     -0.000082391
N       -3.353806922      0.967813995      0.000017773
C       -2.221901075     -1.477949554      0.000044333
N       -3.586307344     -1.373705218      0.000161579
C       -4.176830335     -0.127398341      0.000148237
C       -4.200056610      2.078562259      0.000028927
C       -5.465269716      1.555740482      0.000169013
N       -5.448239522      0.160747032      0.000237942
O       -1.256643521      1.878814740     -0.000232131
H       -3.808338998      3.084980984     -0.000060296
H       -6.408063908      2.091071203      0.000221129
N       -1.667282215     -2.692899729      0.000054568
H       -0.626622969     -2.778834871     -0.000005358
H       -2.239371612     -3.522973113      0.000163755
H       -4.192364470     -2.183966106      0.000254653
}

basis=cc-pVDZ

{casscf
start,2143.2
occ,84
closed,73
wf,158,1,0;state,5
orbital,2160.2
CPMCSCF,NACM,2.1,3.1,accu=1.0d-8,record=5100.1
cpmcscf,grad,2.1,spin=0,accu=1.0d-8,record=5101.1
cpmcscf,grad,3.1,spin=0,accu=1.0d-8,record=5102.1
print,natorb}

{Force
SAMC,5100.1                                                                     !compute coupling matrix element
CONICAL,6100.1}

{Force
SAMC,5101.1                                                                     !compute gradient for state 1
CONICAL,6100.1}

{Force
SAMC,5102.1                                                                     !compute gradient for state 2
CONICAL,6100.1}

{optg,startcmd=casscf}

{put,molden,zp-5sa-11012e-s2s1ci-opt.molden}

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   The first CASSCF calculation is completed but during the gradient calculation the following error is occured.

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

  PROGRAM * FORCE (Gradient of the energy)

 SA-MCSCF information from    5100.1
 Orbitals from record         2160.2

 Number of closed-shell orbitals: 73 ( 73 )
 Number of active orbitals:       11 ( 11 )
 Number of occupied orbitals:     84 ( 84 )

 Number of electrons=158     Singlet     Space symmetry=1      Wavefunction type: SA-MCSCF


 GENERAL BASIS CONTRACTION NOT IMPLEMENTED IN CADPAC GRADIENTS

 Please try with segmented basis set
(END)

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I am not able to solve this error. Kindly help me to resolve it. Looking forward to a reply.

Thanks & regards,

Oishee