! 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   2.5456207255   0.1705282736  -2.9219766212
Cl  -6.7846236607   0.6280858095   1.3442902895
O    3.4357395466  -0.5085897619   1.4495047710
O    4.2681175620  -0.5492236679  -0.6195360300
O   -2.0596422770  -1.2249153690  -1.5840001185
N    2.1912472490   2.1052864477   0.7679391428
N    1.1667557485   2.5482598080   0.0329011346
N    0.6444151335   2.5950097282   2.2147772356
C    3.2250591226  -0.0313122116   0.1477765121
C    4.2365418279  -1.6950880460   1.3890173981
C    3.3471283117   1.4984169816   0.1565853543
C    4.5058997953  -1.8474128470  -0.1074237122
C    1.8451840589  -0.4519775449  -0.3519664832
C    3.5393413909  -2.8816956287   2.0100530976
C    1.4491059729  -0.3433157502  -1.6822676099
C    0.8723750462  -0.8407646372   0.5652694965
C    0.1474195888  -0.5971852145  -2.0837144141
C   -0.4334695974  -1.1027533980   0.1945518731
C   -0.7920458579  -0.9673714903  -1.1373659244
C    1.8580417649   2.1257179448   2.0602115733
C    0.2722452257   2.8306210877   0.9421777809
C   -3.1289705636  -0.7656170319  -0.8594315131
C   -4.2652213461  -1.5602836382  -0.8384668443
C   -3.1158398567   0.4640737494  -0.2129015900
C   -5.3973578966  -1.1274351702  -0.1668278939
C   -4.2441276063   0.8919441193   0.4683038920
C   -5.3767269596   0.0931007772   0.4887349702
H    5.1665671422  -1.4920383148   1.9272426687
H    3.4270651119   1.8848584029  -0.8564966151
H    4.2446688222   1.7905336731   0.7012233277
H    5.5325636890  -2.1323188269  -0.3308557580
H    3.8330302314  -2.5818670237  -0.5664704608
H    4.1859315677  -3.7580499958   1.9456996914
H    2.6052724108  -3.1155387710   1.4972596914
H    3.3236700506  -2.7103950588   3.0645761368
H    1.1339650059  -0.9348273069   1.6091344704
H   -0.1395609547  -0.4970196303  -3.1219020939
H   -1.1536342962  -1.4033562772   0.9438761296
H    2.5260645061   1.8127939909   2.8463709241
H   -0.6873388373   3.2470426546   0.6779315095
H   -4.2707032595  -2.5152584966  -1.3472138986
H   -2.2377537382   1.0974863221  -0.2341725607
H   -6.2821996545  -1.7486157683  -0.1519375106
H   -4.2345053260   1.8484552839   0.9724815335
*
