! 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  -0.5220916242  -0.2610140614  -2.0042501102
Cl  -4.5459454929  -2.0939267734   0.9949131114
O    3.2428136523  -0.8085131894  -0.3126537796
N    1.9542338846  -1.2434485704  -0.2686121546
N    2.5759143135   3.5276030844  -0.8388259344
C    1.6818144270   0.6034977345   1.3587070337
C    1.2293080789  -0.5714380580   0.5327114543
C   -0.1978144167  -0.9566321129   0.6036613088
C    1.5391761459   1.8636866657   0.5466192697
C   -1.0673482199  -0.8641617561  -0.4811689812
C   -0.7213025644  -1.3961997547   1.8177384020
C    0.3057885447   2.4784213399   0.3659547406
C    2.6369257146   2.4360714728  -0.0854258231
C   -2.4061374068  -1.2114411493  -0.3702099074
C   -2.0492508074  -1.7564851091   1.9543585950
C   -2.8803406704  -1.6598140733   0.8499015106
C    0.2271634322   3.6156857724  -0.4199052182
C    1.3878550527   4.0997490663  -1.0005388470
C    3.9883229834  -1.5765417625  -1.2392388597
H    1.0639546565   0.6718128041   2.2549510764
H    2.7131878795   0.4778901073   1.6869360106
H   -0.0699885930  -1.4676456407   2.6793046607
H   -0.5829851191   2.0809305856   0.8411692035
H    3.6179429567   1.9900010646   0.0329559450
H   -3.0657821342  -1.1265732323  -1.2223621313
H   -2.4252071638  -2.1043709934   2.9058709350
H   -0.7145098500   4.1225793424  -0.5782393602
H    1.3581683233   4.9898077160  -1.6177441780
H    4.0044979448  -2.6348690131  -0.9712574893
H    5.0044572205  -1.1891780522  -1.2042589369
H    3.6044690261  -1.4697856388  -2.2557603892
*
