! 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   3.7767346536   3.8840143229   0.8760179326
O   -0.7453453281  -0.2959199369   1.1012230693
N   -1.3565808423  -2.9651968831   0.0257057815
N   -0.3218329477  -3.1398948466   0.8560728853
N   -0.2033192605  -4.5905332835  -0.8451181081
C   -1.6740633914  -0.5004488001   0.0580584806
C   -2.7680161027   0.6025644357   0.2318357277
C   -1.0045908221  -0.4114152764  -1.3421290319
C   -2.3112831239  -1.8972036336   0.2276127224
C   -3.5004021047   0.4538727411   1.5715251243
C   -2.1185400789   1.9920250356   0.2153076273
C   -3.8069593086   0.5384600547  -0.8914067763
C    0.5099238775  -0.6418745939  -1.4038257431
C    1.3344400445   0.4805484116  -0.8319601041
C   -1.2645679289  -3.8281575615  -0.9827018656
C    1.2481354367   1.7645225570  -1.3642314958
C    2.2151565124   0.2715787267   0.2239017067
C    0.3378765077  -4.1217816713   0.2906958614
C    1.9931084143   2.8144854373  -0.8501149164
C    2.9734694587   1.3058725138   0.7524291071
C    2.8483448423   2.5755839921   0.2134167830
H   -1.2004614261   0.5624442844  -1.7914913130
H   -1.4833069736  -1.1234549646  -2.0198394245
H   -2.7314306566  -2.0158232389   1.2249770343
H   -3.1125634289  -2.0556607758  -0.4905615119
H   -4.1795194621   1.2962432015   1.7117560906
H   -2.8127606246   0.4467682908   2.4164996817
H   -4.1115872021  -0.4477416878   1.6257682815
H   -1.3752277847   2.1099690419   1.0024192441
H   -2.8853876772   2.7532077047   0.3703116946
H   -1.6318247891   2.2235921166  -0.7319082473
H   -4.5410297264   1.3354198165  -0.7590690825
H   -3.3685474619   0.6718070137  -1.8810494771
H   -4.3632520302  -0.4002540942  -0.8984353465
H    0.7668848283  -0.7528515854  -2.4607820323
H    0.8025566476  -1.5837111777  -0.9366643373
H   -0.2194235340  -1.0979909941   1.2220715439
H   -1.9907787123  -3.8791460714  -1.7779032936
H    0.5864519831   1.9605997536  -2.1996584533
H    2.3158119665  -0.7181060258   0.6535102616
H    1.2436814312  -4.5163227933   0.7227303179
H    1.9053048672   3.8048613138  -1.2761110750
H    3.6468164318   1.1208825026   1.5782194939
*