! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -4.8856732401   4.9937527978   0.8038307143
O    1.5299391028   1.1474207062   0.8042030054
O    0.6282172018  -2.8812257658   0.8233949266
N    1.8344015883  -1.0369398235   0.2870418253
N    2.4964819963  -3.1684413062  -0.4348043858
N    4.2570923782  -4.4225543140  -0.8464986374
C    0.9998120327  -0.1239902990   1.1151723894
C    2.8302748743  -0.2734119718  -0.5089773267
C    2.1659775975   1.1003739396  -0.4508289745
C   -0.5000756214  -0.1724933137   0.7882773833
C    1.2249939540  -0.3592248989   2.6004299171
C    4.1942274663  -0.2185926258   0.1728195948
C    2.9598962135  -0.7063816606  -1.9619153896
C   -0.8968529886  -0.2302317589  -0.6804241572
C    1.5731142363  -2.3442672461   0.2790926805
C   -2.4183922174  -0.2411485469  -0.8653997005
C   -3.0632778382   1.0506075434  -0.4495977773
C    2.1983945372  -3.8913257664  -1.5632093524
C    3.7410501277  -3.5392162244  -0.0394021455
C   -3.7225756827   1.1785548528   0.7694315574
C   -2.9812127132   2.1729157376  -1.2719567016
C    3.3064867081  -4.6400243783  -1.8087268561
C   -4.2849089551   2.3847502850   1.1647369855
C   -3.5362960784   3.3863018080  -0.8970532578
C   -4.1853476400   3.4807894965   0.3244856301
H    2.8957681477   1.9080639561  -0.5073365717
H    1.4566961622   1.2301053464  -1.2755039860
H   -0.9224103169   0.7245075157   1.2504227621
H   -0.9541879048  -1.0153201794   1.3094071785
H    0.6859236713   0.3927689322   3.1778417868
H    2.2830810599  -0.2898834997   2.8528985330
H    0.8583138872  -1.3348162587   2.9116634443
H    4.1213888942   0.1173384380   1.2074061787
H    4.8361895539   0.4825284346  -0.3614261674
H    4.6987463409  -1.1823012497   0.1624728929
H    1.9888048072  -0.9116926848  -2.4137612044
H    3.4135293905   0.1131386216  -2.5219090967
H    3.6036048376  -1.5727152798  -2.0983876997
H   -0.4896805049   0.6169658367  -1.2356951269
H   -0.4956658305  -1.1309693589  -1.1508052500
H   -2.8487598897  -1.0713082901  -0.3000608009
H   -2.6379232978  -0.4328783858  -1.9179013855
H    1.2623806598  -3.7888366657  -2.0861057821
H    4.1928276045  -3.1710436623   0.8676120568
H   -3.8038798268   0.3233505170   1.4293066731
H   -2.4776962282   2.1034969032  -2.2290325291
H    3.4692795965  -5.3235202834  -2.6262870249
H   -4.7940831663   2.4619981611   2.1157413256
H   -3.4653009566   4.2437276120  -1.5524718102
*