! 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  -5.3701523588  -0.8738280669   0.7278656575
O    3.5958021334   0.7211941813  -0.0859153586
O    0.3068642041  -0.5259458493  -0.6734560885
N    1.1090267810   1.6422767919  -0.4632355164
N    0.9810330870   2.6670191810   0.3835867465
N    1.0545237991   3.3999617955  -1.7349132925
C    3.0336102116  -1.5229618352   0.5282952535
C    2.6425696293  -0.2885664836  -0.3140629826
C    1.2354508093   0.2723730369  -0.0019518545
C    4.3800107258  -2.0323992215   0.0038182558
C    3.1759984154  -1.1707507560   2.0104995774
C    2.0133148779  -2.6546478852   0.3833405139
C    1.1578081366   2.0938660811  -1.7188331737
C   -0.9973192516  -0.5415264370  -0.2877558425
C    0.9459990500   3.6937914402  -0.4245078596
C   -1.5540349907   0.3072033422   0.6609566821
C   -1.7925381362  -1.4947040887  -0.9183128293
C   -2.9033621004   0.1980548152   0.9735335666
C   -3.1354204870  -1.5996178413  -0.6085161887
C   -3.6857749106  -0.7491827368   0.3398939182
H    2.6404203544  -0.5888454140  -1.3713690528
H    1.0571985385   0.3039216838   1.0765989771
H    4.3237020131  -2.2868707569  -1.0574863446
H    5.1779754988  -1.3014472392   0.1314272791
H    4.6750356941  -2.9363538367   0.5402523412
H    3.9372131444  -0.4108384029   2.1872734619
H    3.4693912259  -2.0599057230   2.5721698644
H    2.2404357056  -0.8184762645   2.4507141443
H    1.0599292705  -2.4378939384   0.8658345116
H    2.4075529812  -3.5543459528   0.8596696871
H    1.8160370858  -2.9008151389  -0.6613356907
H    3.6957243121   1.2489300416  -0.8834096432
H    1.2601959214   1.4535545918  -2.5811418017
H    0.8412975962   4.7006158264  -0.0530298007
H   -0.9777253328   1.0692589695   1.1665289829
H   -1.3564445238  -2.1568362402  -1.6547870888
H   -3.3298919714   0.8634758353   1.7112571567
H   -3.7433880147  -2.3441342599  -1.1036449110
*