! 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  -5.4293775182   3.3406388532   1.5216025861
O    1.9750926106   1.4320866633   0.5728452634
O    3.2961557351  -2.2163445352  -1.5693361931
N    2.6279242852  -0.6111620961  -0.1115630017
N    1.5353535951  -2.6905050919  -0.2223960726
N   -0.1957548282  -4.0450350832  -0.3447407586
C    1.6035027029   0.0825755184   0.7332040556
C    3.7202957160   0.3266534715  -0.4740484214
C    3.3794136861   1.4775363186   0.4691594571
C    0.1643977186  -0.0506952195   0.2442036461
C    1.7083140682  -0.3039902994   2.2055759828
C    5.1029231519  -0.2252705409  -0.1640065489
C    3.6160342321   0.7938768285  -1.9241423751
C   -0.0764014332   0.2831317631  -1.2208828183
C    2.5599255787  -1.8112644342  -0.6916136825
C   -1.5248957101   0.0199481849  -1.6411241392
C   -2.5199551873   0.8368826754  -0.8660671741
C    1.4595266468  -3.3287117275   0.9913869435
C    0.5258571883  -3.1750061070  -0.9916645676
C   -2.6479129624   2.2049074322  -1.0997035653
C   -3.3114991616   0.2639696759   0.1244342675
C    0.3839942537  -4.1552207624   0.8917700055
C   -3.5368452895   2.9812007295  -0.3728365095
C   -4.2080400303   1.0230658826   0.8639632669
C   -4.3116848227   2.3795684054   0.6071519061
H    3.8621825707   1.3530829236   1.4463928609
H    3.6743015890   2.4460078759   0.0663180197
H   -0.4226295972   0.6246918846   0.8731351859
H   -0.2130739622  -1.0475463297   0.4778163631
H    1.1480212182   0.4176917464   2.8006523923
H    2.7389288225  -0.3126405680   2.5599009221
H    1.2783570617  -1.2823863728   2.4020108694
H    5.8279246125   0.5890459906  -0.2083101948
H    5.4195691494  -0.9825073176  -0.8771256295
H    5.1455921610  -0.6508999853   0.8391262397
H    4.3843822098   1.5446470793  -2.1136869482
H    3.7686953178  -0.0182471839  -2.6302318741
H    2.6478977407   1.2517534248  -2.1303993969
H    0.1745955571   1.3286682632  -1.4134408508
H    0.5712773681  -0.3073131434  -1.8742254731
H   -1.7503846710  -1.0430291132  -1.5195197785
H   -1.6220544685   0.2373371186  -2.7071107148
H    2.1833243989  -3.1789307061   1.7735052740
H    0.3687392308  -2.8501670200  -2.0082774433
H   -2.0467239041   2.6794968997  -1.8661675196
H   -3.2346031982  -0.7970881100   0.3283570270
H    0.0048171217  -4.8292862725   1.6426857371
H   -3.6243835663   4.0405401628  -0.5722299140
H   -4.8151616030   0.5570670127   1.6280630994
*