! 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  -4.6572242419   1.2026628364  -2.6780978178
O    2.5346716757   1.5492553925   0.5229254026
O    1.8083654025  -2.2471712723  -1.6286249793
N    2.3293752036  -0.5845858190  -0.1743168718
N    0.8632247186  -2.3203729829   0.4305216155
N    0.2162512696  -3.5033998457   2.1696943152
C    2.0124473323   0.3241771777   0.9795461036
C    3.2579914662   0.0894260686  -1.1168895995
C    3.6825059093   1.2651922095  -0.2429400157
C    0.5113775285   0.5084046787   1.1974572792
C    2.7350932863  -0.0954583813   2.2551287098
C    4.4610025519  -0.7623744029  -1.4876351145
C    2.5283128765   0.6080240163  -2.3550967009
C    0.1373530237   1.7684771411   1.9718947563
C    1.7065046038  -1.7059078868  -0.5454419995
C   -1.3549875222   1.7825486417   2.3232083307
C   -2.2309261675   1.6498471968   1.1095926992
C   -0.4874505978  -2.5193970314   0.2799294183
C    1.2345445533  -2.9472519290   1.5764187799
C   -2.8502946791   0.4436314984   0.7950823471
C   -2.3876965111   2.7179208518   0.2288156691
C   -0.8660665983  -3.2324414453   1.3733588906
C   -3.5992797245   0.2955239492  -0.3639620545
C   -3.1318404631   2.5916815100  -0.9338571793
C   -3.7306386158   1.3747485691  -1.2216360866
H    4.5410109826   1.0079948629   0.3896857543
H    3.9452182352   2.1458246765  -0.8279829884
H    0.1194299563  -0.3506908945   1.7433068494
H    0.0116756942   0.5223944883   0.2254389490
H    3.7838564926  -0.3328832510   2.0771055126
H    2.2722798299  -0.9607587368   2.7224265466
H    2.6947203969   0.7181935136   2.9795114861
H    4.2102530700  -1.5609511596  -2.1816976449
H    4.9258654419  -1.2009260903  -0.6039198961
H    5.2065029312  -0.1296188766  -1.9723473925
H    1.6888446391   1.2490659318  -2.0820690915
H    3.2185192515   1.2021261762  -2.9554206809
H    2.1554475245  -0.1962109429  -2.9839810897
H    0.7032616911   1.8356531557   2.9038128157
H    0.3790509528   2.6604562110   1.3913417627
H   -1.5806440588   2.7141645895   2.8469026923
H   -1.5704594334   0.9706479458   3.0218609757
H   -1.0419221589  -2.1186536984  -0.5518502878
H    2.2625188909  -3.0030912362   1.8962652788
H   -2.7436040996  -0.4054072853   1.4595963443
H   -1.9197232725   3.6703402333   0.4479080150
H   -1.8596159982  -3.5626802464   1.6299888884
H   -4.0698709091  -0.6514117453  -0.5911273330
H   -3.2423304442   3.4331078488  -1.6042115601
*