! 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
O    1.1341291863   0.7141522924  -1.3269982061
N    0.7374076690  -1.9740098439  -0.4608598632
N    0.4849454644  -2.7097297210   0.6251026687
N   -1.2890060028  -2.7082413984  -0.7482266311
C    3.4623365988   0.7392281567  -0.4680371734
C    2.0118674679   0.1681330621  -0.3788669803
C    4.0824464112   0.2510421264   0.8460315533
C    1.6653716527   0.4005673843   1.0803423917
C    2.9475638643   0.3073128456   1.8789159413
C    2.0162481438  -1.3392519813  -0.6734554127
C    3.3989297943   2.2695310180  -0.4667957718
C    4.2405899252   0.2812353641  -1.6935206802
C    0.4886291748   0.6454892045   1.6537493034
C   -0.3300361787  -1.9746431872  -1.2593856801
C   -0.7375654941  -3.1210885043   0.4071482124
H    4.9401457074   0.8592049529   1.1361381747
H    4.4537946583  -0.7700830813   0.7337941069
H    3.0451090943   1.1721846457   2.5368447793
H    2.9472352761  -0.5728616201   2.5248814504
H    2.7373799557  -1.8657594590  -0.0528553526
H    2.3001684243  -1.5043745541  -1.7129743950
H    2.8196681321   2.6726798383   0.3676328211
H    4.4059866202   2.6806479395  -0.3833719322
H    2.9752577941   2.6668213791  -1.3915643853
H    5.2147263574   0.7727323627  -1.7233941631
H    4.4297665716  -0.7929489039  -1.6962046594
H    3.7206962832   0.5355760246  -2.6193467270
H    1.0158296902   1.6520060046  -1.1492190734
H   -0.3590065415  -1.4585933557  -2.2048645622
H   -1.2511025076  -3.7562222361   1.1121268873
C   -0.8562978895   0.7689686538   1.0566724632
C   -3.4521584749   0.9907590251   0.0688126440
C   -1.2182858897   1.8248122793   0.2221256655
C   -1.8437541413  -0.1455342432   1.4189237649
C   -3.1345664169  -0.0497283217   0.9252202939
C   -2.5049394830   1.9394691481  -0.2806545289
H   -0.5014265371   2.5994001331  -0.0191307472
H   -1.6024232886  -0.9554324396   2.0949132718
H   -3.8794221649  -0.7810185907   1.2075796748
H   -2.7628171527   2.7663014378  -0.9282432747
Cl  -5.0637442112   1.1196760802  -0.5600368690
H    0.4972204980   0.7334856399   2.7387420047
*