! 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   5.0201408622   1.2415364922   1.6995388361
O   -0.8544229143   0.0968696216   1.1521216003
N   -0.5552823538  -2.0377658776  -0.7545544536
N   -0.0738520837  -2.3780687830  -1.9544179412
N    1.1627911048  -3.3067777736  -0.3306385394
C   -1.6635102089   0.1212621058  -0.0041961114
C   -3.0829539366   0.6366769992   0.3452218503
C   -1.2241062114   1.2057823340  -1.0115058566
C   -3.6515992576   1.0729476126  -1.0191645406
C   -2.4389025539   1.3632510954  -1.9221762698
C   -4.0409490966  -0.2588153536   1.1399262704
C   -1.7910340191  -1.2947920405  -0.5992475094
C    0.0915178278   1.0486623244  -1.7713293240
C   -3.4651064901  -0.7469761224   2.4660517112
C   -5.3433446358   0.4950707205   1.4031475370
C    1.3244176805   1.0932459054  -0.9048068959
C    0.1904837948  -2.6008802542   0.1978416565
C    2.2492767944   0.0535027097  -0.9095856438
C    1.5805438537   2.1895735307  -0.0784404675
C    3.3859652234   0.0862985351  -0.1130717206
C    2.7111880318   2.2443094124   0.7198167990
C    0.9536738095  -3.1291235512  -1.6471894893
C    3.6059932064   1.1846178018   0.6986703917
H   -2.9127300889   1.5365777006   0.9504581896
H   -1.1490590197   2.1225209110  -0.4137816581
H   -4.2938148250   1.9463909077  -0.9138805335
H   -4.2738622389   0.2810636507  -1.4437663009
H   -2.3886367773   0.6592290161  -2.7570274094
H   -2.4712074609   2.3601175614  -2.3622125032
H   -4.2957078594  -1.1349075761   0.5317503649
H   -2.2652055676  -1.2735727293  -1.5784964049
H   -2.4315524915  -1.8985078416   0.0419184996
H    0.1439114263   1.8744993667  -2.4879000966
H    0.0880972108   0.1357366620  -2.3688698849
H    0.0722397870   0.1365408443   0.8903665545
H   -2.5947216001  -1.3899789780   2.3431808378
H   -3.1677838264   0.0915165075   3.0998767750
H   -4.2148072586  -1.3212934221   3.0136962760
H   -5.1585162238   1.4068736246   1.9766709755
H   -6.0366499681  -0.1200397750   1.9792592164
H   -5.8537715487   0.7799638166   0.4828100259
H   -0.0193229661  -2.5012319618   1.2504155765
H    2.0956607264  -0.7980732554  -1.5588816198
H    0.8917236969   3.0249982835  -0.0555338423
H    4.0873031264  -0.7365281443  -0.1340405098
H    2.8902972880   3.1049833380   1.3495061045
H    1.5753606981  -3.5717527606  -2.4095319424
*