! 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  -5.0423071345   1.6132769808  -2.4557675377
O    1.9575409016   1.5372026734  -0.3162872237
O    1.9020863670  -1.6124378602   2.3705364592
N    1.9389377842  -0.6327310992   0.3200198127
N    1.8804045087  -2.9625093493   0.5478924300
N    1.0969670881  -4.7591575565  -0.4532514667
C    1.8030981229   0.7585262843   0.8483921771
C    2.3023984674  -0.6075328392  -1.1230614297
C    2.8027170366   0.8339208250  -1.1940142291
C    0.3922906827   0.9899498391   1.3820084984
C    2.8970721216   1.1166033507   1.8508195022
C    3.4247036388  -1.5549840021  -1.5204223312
C    1.0901592989  -0.7769022505  -2.0338984145
C    0.1064084677   2.4277388392   1.7982503918
C    1.9127833020  -1.6721069317   1.1563571004
C   -1.3584171309   2.6287934552   2.2004901434
C   -2.3103919785   2.3849243782   1.0635302616
C    2.8185986742  -3.9473794996   0.7356456660
C    0.8606243652  -3.5119343854  -0.1609324943
C   -3.0659699160   1.2188017895   0.9861462137
C   -2.4239269782   3.3098455118   0.0271626081
C    2.3224940317  -5.0379437495   0.0934659519
C   -3.9081779414   0.9715898537  -0.0893623070
C   -3.2594178357   3.0834452844  -1.0553471863
C   -3.9954706928   1.9093952154  -1.1041273860
H    3.8546107885   0.9014763419  -0.8897241349
H    2.7096201637   1.2571343007  -2.1932288734
H    0.2167976992   0.3320373098   2.2350546476
H   -0.3095691213   0.6865350665   0.6005863915
H    3.8827745146   0.8065810945   1.5023296819
H    2.7281309037   0.6676546509   2.8249523072
H    2.9193357462   2.1979685104   1.9832089459
H    4.2349771157  -1.5592268911  -0.7909618976
H    3.8404182716  -1.2092832081  -2.4685081803
H    3.0905518433  -2.5781667406  -1.6805838246
H    0.7004085239  -1.7922999169  -2.0194885027
H    0.2799380371  -0.0984798170  -1.7665098389
H    1.3790385363  -0.5630617483  -3.0634761270
H    0.7327612412   2.7078170174   2.6479711821
H    0.3512603480   3.1188861070   0.9879661865
H   -1.4805577331   3.6500763235   2.5679692376
H   -1.6005535175   1.9656801925   3.0343178937
H    3.7389150831  -3.7745061529   1.2675580615
H   -0.0449212542  -2.9707759849  -0.3828507672
H   -3.0002269959   0.4814051061   1.7769793873
H   -1.8515559314   4.2294463261   0.0603315820
H    2.7836544493  -6.0069980977  -0.0078932789
H   -4.4848672868   0.0575232662  -0.1302350503
H   -3.3344463708   3.8152159820  -1.8481572186
*