! 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   0.4797224879  -0.8349292013  -2.3128831947
Cl   5.1416935662  -0.3691635228   0.2699730782
O   -1.3122853104   1.1515611463   1.1348820454
N   -2.8995965283  -1.1992109740   0.6636804906
N   -5.0087704315  -0.7747681698   1.1462756154
C   -0.8657870598   0.1319868339   0.2804050091
C   -1.4605246394  -1.1867144706   0.7677746483
C    0.6411522875   0.0179815595   0.2578198345
C    1.3363406147  -0.4213203495  -0.8628507097
C    1.3858229734   0.3166022571   1.3941815169
C   -3.6250852820  -1.5259779102  -0.4495994877
C   -3.7752522726  -0.7392850570   1.5813094450
C   -1.4916328939   2.4018792390   0.4859584283
C    2.7167494121  -0.5435155702  -0.8781420983
C    2.7649413740   0.1989014643   1.4160317940
C    3.4186708638  -0.2266194344   0.2715281477
C   -4.9234301690  -1.2657719943  -0.1280724823
C   -0.2161653078   2.9822002521  -0.0371270192
C    0.0141501074   3.1914315731  -1.3267937863
H   -1.2308415016   0.3142909603  -0.7385830791
H   -1.0630965913  -2.0146203754   0.1806537039
H   -1.1790262784  -1.3675181207   1.8061383253
H    0.8814725054   0.6613080111   2.2865993846
H   -3.1654750425  -1.9175049223  -1.3420263658
H   -3.4618280095  -0.4112973695   2.5596932813
H   -2.2195768799   2.3024299635  -0.3285400983
H   -1.9282488934   3.0610934187   1.2388505467
H    3.2298220025  -0.8778286280  -1.7688794038
H    3.3175409324   0.4409140475   2.3129123759
H   -5.7969183508  -1.4109821985  -0.7435223982
H    0.5437200966   3.2338621829   0.6967681716
H    0.9417402072   3.6280204857  -1.6741419901
H   -0.7222439894   2.9480560570  -2.0843704113
*
