! 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   4.9522378827   2.8578509505   1.3811610146
O   -2.2974114922  -0.9048626399  -1.8977729823
N   -1.1664804948  -2.8081666439   0.0431669140
N   -0.7518979055  -3.1588400134  -1.1806733545
N    0.7390504674  -3.8100142771   0.3561955260
C   -2.2634911005  -0.6611630939  -0.5097752760
C   -3.4624641815   0.2617999728  -0.1313787542
C   -0.9854331690   0.1084039846  -0.0167920573
C   -2.9204471410   1.0212133753   1.0826119310
C   -1.4914618702   1.3702882131   0.6937983609
C   -2.3585882973  -2.0077100907   0.2334370780
C    0.0555887546   0.3833966322  -1.1029378525
C   -4.7605136614  -0.4757560779   0.1839839505
C   -3.7507031980   1.2525419861  -1.2658710062
C    1.2903223407   1.0061190457  -0.5158992738
C   -0.2627858105  -3.1924279894   0.9414398955
C    2.2052640853   0.2256656067   0.1884790423
C    1.5374147490   2.3712006187  -0.6215084008
C    3.3308016306   0.7830061667   0.7743835348
C    2.6585711921   2.9500122359  -0.0426886036
C    0.3920088102  -3.7519732866  -0.9399994779
C    3.5465326937   2.1475231924   0.6535827504
H   -0.4942886199  -0.5042796809   0.7467083850
H   -2.9209677444   0.3738789033   1.9658704070
H   -3.5292889067   1.8929097856   1.3297448400
H   -1.4775801943   2.2315613515   0.0207686530
H   -0.8719861057   1.6348580657   1.5509104572
H   -3.2165489058  -2.5836549941  -0.1132646311
H   -2.4652584154  -1.8609918214   1.3069902715
H   -0.3623788774   1.0416201241  -1.8675115613
H    0.3349979831  -0.5478120884  -1.6030755205
H   -4.6823845767  -1.1165159865   1.0632684684
H   -5.5542219265   0.2450599749   0.3894422664
H   -5.0932246308  -1.0905173843  -0.6549161738
H   -4.4544804083   2.0087126078  -0.9121762451
H   -2.8649238633   1.7778759067  -1.6247726470
H   -4.2104390002   0.7634158815  -2.1245941828
H   -1.6857084264  -1.6293587008  -2.0991779308
H   -0.3775333235  -3.0149983723   1.9990155411
H    2.0431152109  -0.8424976203   0.2826719769
H    0.8474925862   3.0022850408  -1.1681521161
H    4.0301316045   0.1596299300   1.3147873199
H    2.8330732501   4.0130910060  -0.1385457948
H    0.9923289863  -4.1638540988  -1.7357144232
*