! 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   1.8840699860   1.9984845529   1.7387754952
Cl   4.4822747053  -0.4714698885  -2.2026802507
O   -1.4694332797  -0.8476099728   0.7103575352
O   -0.3669810617   0.1831311512   2.3864300354
N   -1.4816989718   1.5756874235  -0.8296399397
N   -0.6098817151   2.2106728903  -1.6192858798
N   -2.0981976149   1.0707787571  -2.8520809973
C   -0.5939418228   0.2017771996   1.0024739109
C   -1.6767930071  -1.6393747377   1.8790606296
C   -1.3479922420  -0.6519126699   2.9815714369
C   -3.0917816909  -2.1688075102   1.9131868719
C   -1.2936893553   1.5127113742   0.5982517323
C    0.7171676628   0.0259498741   0.2480531173
C   -3.4251454921  -3.1306154363   0.7801802564
C    1.8530964534   0.7929329463   0.4960137449
C    0.7857129974  -0.8926283751  -0.7941898132
C   -4.8449160195  -3.6644789326   0.8846542791
C    3.0143363592   0.6445711355  -0.2462641058
C    1.9302211357  -1.0608369701  -1.5548503019
C   -2.3515547428   0.8951822695  -1.5781682921
C    3.0393672124  -0.2859714539  -1.2699687506
C   -1.0230795848   1.8806355104  -2.8135580512
H   -0.9631650850  -2.4732358365   1.8881488740
H   -2.2298631005  -0.0747167376   3.2841236621
H   -0.9204127679  -1.1219797431   3.8663207831
H   -3.7912196822  -1.3267137773   1.9102770262
H   -3.2255615634  -2.6795007410   2.8721033173
H   -0.7135242210   2.3813513278   0.8979669367
H   -2.2643533944   1.5706116615   1.0916524189
H   -2.7174059696  -3.9641813869   0.7913161362
H   -3.2961030052  -2.6293946480  -0.1819873156
H   -0.0776132447  -1.4987088642  -1.0268749105
H   -5.5763859339  -2.8563443520   0.8343187553
H   -5.0695235347  -4.3606947263   0.0757676199
H   -5.0026998783  -4.1921325428   1.8269853521
H    3.8825605100   1.2503733605  -0.0282487395
H    1.9470483664  -1.7848986884  -2.3568347642
H   -3.1538783996   0.3084027953  -1.1622094681
H   -0.5307474225   2.2467712248  -3.7004104222
*
