! 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  -4.8852086875   1.5327587461  -2.5230158845
O    2.0402687109   1.5373671187  -0.2399094802
O    1.7721323870  -1.6302845479   2.4160153118
N    1.8949497025  -0.6363532036   0.3766780952
N    1.7046626303  -2.9634023042   0.5825697161
N    2.2317450417  -5.0533945142   0.1396222167
C    1.8247363505   0.7565180617   0.9139750729
C    2.2227382397  -0.6154079403  -1.0740327153
C    2.8241060546   0.7861510862  -1.1349420111
C    0.4173126803   1.0511252227   1.4252767231
C    2.9179702759   1.0506608356   1.9362601755
C    3.2597229163  -1.6354185754  -1.5190293485
C    0.9764841617  -0.6794662696  -1.9526721897
C    0.1683405410   2.5071464244   1.7980967938
C    1.7961208717  -1.6797181998   1.2011679721
C   -1.2997852721   2.7562113001   2.1608110494
C   -2.2319214576   2.4675867642   1.0173477880
C    0.6554724570  -3.4791398993  -0.1378793390
C    2.6158988092  -3.9576444364   0.7309557275
C   -3.0334414553   1.3301062690   1.0036856754
C   -2.2751700823   3.3128309408  -0.0898484399
C    1.0049877191  -4.7674896815  -0.3996105210
C   -3.8527192849   1.0336802643  -0.0771450427
C   -3.0862599089   3.0361489438  -1.1792065264
C   -3.8693698314   1.8920870935  -1.1629294221
H    3.8813369946   0.7736311614  -0.8424405700
H    2.7491692543   1.2260330904  -2.1286027382
H    0.2103730125   0.4207560940   2.2922840375
H   -0.2850343488   0.7516821359   0.6429749920
H    3.8971325926   0.7208565416   1.5854776423
H    2.7248653664   0.5796348965   2.8960516574
H    2.9718181930   2.1274010044   2.0995896330
H    4.0864514508  -1.7168958417  -0.8133534894
H    3.6749798873  -1.2993805682  -2.4708297436
H    2.8425318167  -2.6251739866  -1.6945353365
H    1.2590558717  -0.5079214147  -2.9918822581
H    0.4916412988  -1.6518415120  -1.9091936229
H    0.2429796321   0.0786072117  -1.6779228541
H    0.7850108029   2.7944207241   2.6527808913
H    0.4478897868   3.1674697035   0.9736668264
H   -1.4109896955   3.7971717122   2.4727183554
H   -1.5717778934   2.1412919780   3.0220254156
H   -0.2392948212  -2.9184542438  -0.3458806195
H    3.5433752473  -3.8103736012   1.2623307109
H   -3.0208923178   0.6528178136   1.8490927143
H   -1.6645068826   4.2078041536  -0.1095459835
H    0.4310690170  -5.5046626080  -0.9378715110
H   -4.4650247624   0.1421530370  -0.0672681614
H   -3.1052266689   3.7059666665  -2.0282416301
*