! 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   6.0450515138   1.4613611903  -0.5204247828
O   -2.4571262622  -0.7617062994  -1.3479936614
N   -2.7289508504   1.5343735975   0.2939290758
N   -1.9009911999   2.5165895236   0.6642384131
N   -3.2662520636   3.2242510668  -0.9680682717
C   -1.8596813903  -0.7710996782  -0.0639567679
C   -1.8192662953  -2.1831501529   0.5843774676
C   -0.3769234072  -0.4372705479  -0.3110861421
C   -0.4716076258  -2.8008161356   0.1417201039
C    0.1600884482  -1.7810854603  -0.8087762563
C   -3.0618265115  -3.0656939810   0.3499702566
C   -2.6306552082   0.1964031617   0.8390351904
C    0.3781729298   0.0385581142   0.9410076439
C   -3.0875123955  -3.8165853963  -0.9830779560
C   -3.2038670631  -4.0722653664   1.4885249144
C    1.8005521936   0.3948767907   0.6159102629
C   -3.5267594741   1.9703741453  -0.6793083411
C    2.0812976903   1.5541214719  -0.1061795405
C    2.8656837463  -0.4203667362   0.9851201794
C    3.3784020270   1.8904244731  -0.4586950143
C    4.1735513954  -0.1011096372   0.6441386286
C   -2.2619634366   3.5012763965  -0.1172419157
C    4.4172353242   1.0531682868  -0.0802834069
H   -1.7738339666  -2.0109751198   1.6655197744
H   -0.2934726215   0.3443273760  -1.0726828210
H   -0.5848285756  -3.7771515080  -0.3279569581
H    0.1704392082  -2.9572348377   1.0101820424
H    1.2502358418  -1.8274118183  -0.8149564880
H   -0.1660319951  -1.9582745727  -1.8350957396
H   -3.9505926305  -2.4217266340   0.3900959886
H   -2.1821314037   0.2740161711   1.8268120158
H   -3.6468515013  -0.1760246520   0.9892849908
H    0.3582098747  -0.7254599495   1.7232528089
H   -0.1113255388   0.9220371049   1.3526506085
H   -3.3403928690  -1.1434783850  -1.2919866721
H   -4.0774236217  -4.2458914025  -1.1495113120
H   -2.8538825970  -3.1910868273  -1.8440434385
H   -2.3800509271  -4.6479774075  -0.9860228159
H   -2.3267186577  -4.7211504593   1.5507106084
H   -4.0748069751  -4.7136823808   1.3409225898
H   -3.3184150530  -3.5754516407   2.4534892527
H   -4.2932957742   1.3632324617  -1.1320969421
H    1.2730989851   2.2138901598  -0.4002075013
H    2.6795615127  -1.3253201174   1.5509518694
H    3.5732586422   2.7941671685  -1.0198917173
H    4.9865525119  -0.7496879789   0.9408398499
H   -1.7839294893   4.4669063817  -0.0614599337
*