SAPT calculation error

I need help with the following error while performing the SAPT calculation. Many thanks in advance.
error:

   37    -370.4554755358      1.65E-05
   38    -370.4558000370      2.13E-05
   39    -370.4557369742      1.87E-05
   40    -370.4553871162      1.64E-05
   41    -370.4555817261      8.91E-06 Convergence criterion met 
 ---------------------------------------
 <S^2> = 1.8364
 SCF time:  CPU 20717.60 s  wall 579.86 s
 SCF   energy in the final basis set = -370.45558173
 Total energy in the final basis set = -370.45558173

 Q-Chem fatal error occurred in module forms1/mkShls.C, line 206:

 Not enough orbitals for all the electrons


 Please submit a crash report at q-chem.com/reporter

Input:

$comment
Re-Re complex 787
$end

$molecule
0 1
-- Rhenium complex
0 1
Re     7.0769   10.6464    3.6229
Cl     6.0474   10.9093    1.5171
Cl     5.3335   11.9553    4.4799
Cl     7.6346   10.0952    5.8378
O     5.9058    8.9502    3.7798
N     8.1553    9.1514    2.8175
N     8.3378   11.7787    3.4258
C     5.5033    6.6515    3.5004
C     9.4856   12.5415    3.3101
C     9.5567    9.7794    0.9056
C     8.2852    6.8916    1.8458
C    10.7686   10.1718    0.3913
C     9.4526    9.4349    2.2449
C     6.3372    7.8450    3.2966
C     3.8099    4.4858    3.9897
C     7.6302    7.9283    2.6569
C     9.7845   13.1727    2.1073
C     3.4002    5.7708    4.3150
C     5.0591    4.2912    3.4547
C    10.3347   12.6671    4.4179
C    10.5526    9.5131    3.0716
C     4.2271    6.8414    4.0676
C     7.7482    6.5500    0.6101
C     9.4402    6.2616    2.2806
C     8.3509    5.5714   -0.1665
C     5.9093    5.3529    3.2124
C    10.9205   13.9517    2.0429
C    10.0234    5.2819    1.5027
C    11.4433   13.4511    4.3205
C    11.7753    9.9169    2.5490
C    11.8669   10.2590    1.2199
C     9.4750    4.9281    0.2881
C    11.7383   14.0933    3.1386
H     6.9296    6.9727    0.3190
H     5.3268    3.4713    3.2938
H    10.8231   10.4353   -0.5432
H    10.8533    4.8750    1.8125
H    11.9808   13.5723    5.1186
H     3.2635    3.7912    4.1576
H    11.0478   14.3538    1.2609
H    10.0621   12.2165    5.1909
H     2.5969    5.8489    4.6741
H     3.9828    7.6520    4.2407
H    12.5238   14.5800    3.0373
H     9.8844    4.3369   -0.2594
H     8.0177    5.3720   -0.9552
H    12.6355   10.5255    0.9259
H    12.5274    9.9994    3.1836
H     9.1667   13.1531    1.4158
H     8.8118    9.7259    0.3953
H    10.4816    9.3062    3.9516
H     9.7661    6.4374    3.0407
H     6.7166    5.1787    2.8474
--Rhenium complex
0 1
Re     9.1925    4.8003    7.5558
Cl    10.2219    4.5373    9.6616
Cl    10.9358    3.4914    6.6988
Cl     8.6347    5.3515    5.3409
O    10.3635    6.4965    7.3989
N     8.1141    6.2953    8.3612
N     7.9315    3.6680    7.7529
C    10.7661    8.7952    7.6782
C     6.7838    2.9051    7.8685
C     6.7126    5.6672   10.2731
C     7.9842    8.5550    9.3329
C     5.5007    5.2748   10.7874
C     6.8167    6.0117    8.9338
C     9.9322    7.6016    7.8820
C    12.4595   10.9608    7.1889
C     8.6392    7.5184    8.5218
C     6.4848    2.2740    9.0714
C    12.8692    9.6758    6.8636
C    11.2102   11.1554    7.7239
C     5.9346    2.7796    6.7608
C     5.7168    5.9335    8.1071
C    12.0423    8.6052    7.1110
C     8.5212    8.8967   10.5686
C     6.8292    9.1850    8.8981
C     7.9185    9.8753   11.3452
C    10.3600   10.0937    7.9663
C     5.3489    1.4950    9.1357
C     6.2459   10.1648    9.6760
C     4.8260    1.9955    6.8582
C     4.4941    5.5297    8.6296
C     4.4024    5.1876    9.9588
C     6.7943   10.5186   10.8906
C     4.5310    1.3534    8.0401
H     9.3398    8.4739   10.8597
H    10.9426   11.9754    7.8849
H     5.4463    5.0114   11.7218
H     5.4161   10.5717    9.3661
H     4.2885    1.8743    6.0600
H    13.0058   11.6554    7.0211
H     5.2216    1.0929    9.9177
H     6.2073    3.2301    5.9878
H    13.6724    9.5978    6.5046
H    12.2866    7.7946    6.9380
H     3.7455    0.8666    8.1414
H     6.3850   11.1097   11.4381
H     8.2517   10.0747   12.1339
H     3.6339    4.9211   10.2528
H     3.7420    5.4472    7.9951
H     7.1026    2.2935    9.7629
H     7.4575    5.7207   10.7834
H     5.7877    6.1405    7.2271
H     6.5033    9.0093    8.1380
H     9.5527   10.2680    8.3313
$end

$rem
Jobtype			XSAPT
GUI			        2
Method			B3LYP
ao2mo_disk 		5000000
Basis			def2-SVP
MAX_SCF_CYCLES		2000
scf_guess		autosad
unrestricted		true
SYM_IGNORE		true
$end

$sapt
algorithm		ri-mo
basis			dimer
dispersion		mbd
$end

May not be implemented with ECPs; you should try a smaller example and test this. By the way, if you are using MBD for dispersion then you don’t want to be using the MO-based SAPT algorithm, which has O(N^5) scaling. Use the AO-based algorithm with cubic scaling instead. See
https://doi.org/10.1021/acs.accounts.1c00387
or
https://doi.org/10.1021/acs.jctc.8b00058
I had thought we implemented the AO-based algorithm for use with ECPs but please check and report back.

Using AO algorithm + MBD for dispersion, and I got the same error.

$sapt
algorithm               ao
basis                   dimer
dispersion              mbd
$end

error:

 Q-Chem fatal error occurred in module forms1/mkShls.C, line 206:

 Not enough orbitals for all the electrons


 Please submit a crash report at q-chem.com/reporter

Can you please post a complete input, for something small that uses ECPs, and I will look into it.

For XSAPT+MBD, the usual options (per sample job that ships with Q-Chem) are:

$rem
jobtype      xsapt
method       lrc-wpbe
basis        def2-svp
lrc_dft      true
scf_convergence 7
$end

$xpol
embed   charges
charges cm5
dft-lrc
print   3
$end

$sapt
print   3
algorithm   ao
order   2
basis   projected
Dispersion   MBD
$end

$lrc_omega
340
340
$end