! 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  -4.8930144250   5.0286172674   0.6699725436
O    1.5879927193   1.2192712470   0.5819046486
O    0.6420701958  -2.7797593762   1.0045641609
N    1.8563576544  -1.0098832512   0.2694654542
N    2.4662607185  -3.2081053567  -0.2764712270
N    4.2023825987  -4.5100799113  -0.6402680624
C    1.0657581907  -0.0106801610   1.0402458630
C    2.8343003410  -0.3381358683  -0.6268058706
C    2.1829367255   1.0417244751  -0.6819291995
C   -0.4466461688  -0.0713450812   0.7877263372
C    1.3578802660  -0.1047483341   2.5287999065
C    4.2193100889  -0.2325472781   0.0033601712
C    2.9122185739  -0.9070967068  -2.0356078195
C   -0.9086545983  -0.2356276575  -0.6534279926
C    1.5771942609  -2.3080492766   0.3875297957
C   -2.4363484617  -0.2799221022  -0.7665027533
C   -3.0814618787   1.0287634984  -0.4081735844
C    2.1188357783  -4.0294064549  -1.3204053121
C    3.7235768037  -3.5505630140   0.1008675995
C   -3.0417430940   2.0988221929  -1.3005459163
C   -3.6965576288   1.2264151200   0.8244224525
C    3.2122887876  -4.8075388763  -1.5388580178
C   -3.5943905543   3.3287521619  -0.9801642099
C   -4.2559117422   2.4504862462   1.1659027018
C   -4.1979208556   3.4934349970   0.2571746463
H    2.9176313635   1.8318711736  -0.8409610796
H    1.4474303147   1.0959433829  -1.4929694653
H   -0.8420710298   0.8633086657   1.1967710929
H   -0.8823909661  -0.8657000945   1.3935021558
H    1.0038039980  -1.0442516025   2.9479259090
H    0.8470890998   0.7021145068   3.0561458144
H    2.4267496399  -0.0185077906   2.7255219631
H    4.7143747835  -1.1980531987   0.0792867209
H    4.1832619047   0.2111027470   0.9984928771
H    4.8505829569   0.4007031768  -0.6209597447
H    3.5444290876  -1.7888708541  -2.1145461972
H    1.9245220552  -1.1410010131  -2.4345623423
H    3.3526389310  -0.1467635166  -2.6830410057
H   -0.5417168887   0.5793787120  -1.2813744688
H   -0.5136527734  -1.1600594849  -1.0822200567
H   -2.8270737998  -1.0754417894  -0.1272148471
H   -2.7006242453  -0.5465036567  -1.7921658037
H    1.1640069679  -3.9662061582  -1.8142451052
H    4.2119421519  -3.1032155528   0.9514880497
H   -2.5733002576   1.9743624940  -2.2697155878
H   -3.7444680696   0.4131850652   1.5383753245
H    3.3374122662  -5.5647320455  -2.2959228669
H   -3.5556091683   4.1444681947  -1.6892501492
H   -4.7294076109   2.5821357560   2.1292608073
*