! 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   4.9834127946   1.5238731432   1.6575087636
O   -0.7792990747   0.1219451577   1.0932755615
N   -0.5890248687  -2.1509922274  -0.5491868914
N   -0.1957953746  -2.6343786692  -1.7320310040
N    1.1459668818  -3.3850913905  -0.1003065989
C   -1.6400676629   0.0974160083  -0.0188563547
C   -3.0504207132   0.6951517377   0.2501162436
C   -1.1729240275   1.0261212343  -1.1591072144
C   -3.6023752816   0.9729123870  -1.1610576539
C   -2.3783452512   1.0829972119  -2.0912727775
C   -4.0319378713  -0.0636704160   1.1487329741
C   -1.8052343050  -1.3785970353  -0.4003242657
C    0.1521202812   0.7638009820  -1.8682318361
C   -3.4715641841  -0.3833392530   2.5320302211
C   -5.3184724139   0.7465411871   1.3032098597
C    1.3650342285   0.9475883166  -0.9962634583
C    0.2180097108  -2.6085358478   0.4083602210
C    1.6268628029   2.1779224691  -0.3939350116
C    2.2651052500  -0.0883505084  -0.7754952377
C    2.7332922502   2.3651083631   0.4195328526
C    3.3783981731   0.0754222275   0.0366163011
C    0.8477058175  -3.3575859554  -1.4126856386
C    3.5998553092   1.3041360321   0.6343870817
H   -2.8591969875   1.6611270382   0.7391990739
H   -1.0931539351   2.0182647282  -0.6924293186
H   -4.2012159179   1.8830065110  -1.1770331010
H   -4.2650988015   0.1637997554  -1.4789760177
H   -2.3483232621   0.2562792815  -2.8061845980
H   -2.3798321305   1.9995438521  -2.6812760095
H   -4.3046535457  -1.0060311720   0.6585929238
H   -2.3578853156  -1.4818283921  -1.3312677342
H   -2.3973894214  -1.8818392491   0.3629058817
H    0.2123095127   1.4753923109  -2.6976265291
H    0.1617601194  -0.2254991597  -2.3262395127
H   -0.5441822427   1.0371695607   1.2809994421
H   -3.1535225843   0.5262252145   3.0461393690
H   -4.2364841768  -0.8577560101   3.1496658076
H   -2.6165832739  -1.0569964219   2.5046491921
H   -5.8187802911   0.9213575736   0.3500558861
H   -5.1153103398   1.7213555054   1.7546887055
H   -6.0286733081   0.2278101420   1.9499275237
H    0.0880707605  -2.3767368937   1.4526822549
H    0.9616795721   3.0169220202  -0.5613251888
H    2.1079559665  -1.0456352380  -1.2537823281
H    2.9173573766   3.3282210456   0.8762254984
H    4.0607379534  -0.7484076748   0.1969750037
H    1.4126222737  -3.8938221187  -2.1593407554
*