! 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   0.4777590011  -1.1841251884   2.3843324910
Cl   1.2613877132  -5.3971911973  -0.7798265906
O   -0.7178250615   0.8399367729   0.6310948844
O   -0.0097615755   1.0988302755  -1.4796285410
N    1.4423293189   2.6476763984   0.3946109870
N    1.7071918051   3.5231996624  -0.5793921518
N    0.7596021690   4.5590163409   1.1720539297
C    0.3370264985   0.5528675161  -0.2430875411
C   -1.7931541338   1.4597192684  -0.0778640109
C   -1.4240706780   1.1681712866  -1.5250847735
C   -3.1134175224   0.8904704388   0.4097905647
C    1.6293869940   1.2317243534   0.2268299077
C    0.5532790494  -0.9548889020  -0.3418096918
C   -4.3343316311   1.7244811067   0.0331878705
C    0.6260166259  -1.7926840332   0.7702017581
C    0.7272495560  -1.5403583511  -1.5919930918
C   -4.6035091397   1.8519861353  -1.4595413884
C    0.8425474924  -3.1567324038   0.6452108900
C    0.9417219647  -2.8994870435  -1.7467846194
C    0.8680779628   3.2771934295   1.4212107111
C    0.9941681890  -3.6983207207  -0.6190268911
C    1.2881515444   4.6482440129  -0.0638990381
H   -1.7642778489   2.5412051804   0.1124569752
H   -1.8577255740   0.2215362004  -1.8703320817
H   -1.7025332681   1.9558852142  -2.2217918743
H   -3.0692611503   0.8283787905   1.4997066092
H   -3.2275792404  -0.1348691496   0.0432943368
H    2.4243631839   1.0689523122  -0.4986031163
H    1.9603195707   0.8087003743   1.1736166779
H   -4.2377548636   2.7218384808   0.4718950171
H   -5.2052807754   1.2704544049   0.5108561030
H    0.6951299502  -0.9230167093  -2.4782712071
H   -3.8362571951   2.4333563973  -1.9722077982
H   -4.6611044271   0.8746821411  -1.9426342486
H   -5.5518073558   2.3606238755  -1.6373964626
H    0.8919569892  -3.7835952331   1.5245232617
H    1.0668200850  -3.3207567563  -2.7341787840
H    0.5682492132   2.7753410160   2.3269661915
H    1.3713918192   5.5794486978  -0.6018712797
*