! 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   0.1379189485  -0.4407986322  -2.1472063628
Cl   5.1263509330   0.6583354857  -0.6964289428
O   -1.3783105462  -1.0392616694   0.2216139818
O   -0.6512250338  -0.6333973940   2.2825570894
N   -1.3978059280   1.8659228622  -0.2646937126
N   -0.4359228441   2.6974576776  -0.6745503910
N   -1.9772731455   2.4221681423  -2.2834348608
C   -0.6358800321  -0.1368320902   0.9744470172
C   -1.3040491667  -2.3279158854   0.8323336015
C   -0.5813928661  -2.0446413679   2.1556969652
C   -2.6942459135  -2.9206632245   0.9751467927
C   -1.3515605002   1.2147475321   1.0172264126
C    0.8061667991   0.0091195984   0.4804151506
C   -3.6833847370  -2.0967682792   1.7903667626
C    1.2222568132  -0.0978894483  -0.8444787879
C    1.7775731838   0.3446381969   1.4222673738
C   -5.0172964196  -2.8124411334   1.9464779648
C    2.5491486866   0.0918504281  -1.2096677627
C    3.1030365620   0.5498133947   1.0860232486
C   -2.2969367372   1.7039758346  -1.2360379553
C    3.4779568672   0.4141824461  -0.2390681496
C   -0.8262589668   2.9966207870  -1.8852197686
H   -0.6980017199  -2.9894178098   0.2059454237
H   -1.0623867976  -2.4970335728   3.0226092135
H    0.4583406852  -2.3844818075   2.1257353683
H   -2.5735606664  -3.9095314263   1.4292908851
H   -3.1060500414  -3.1018801127  -0.0224111746
H   -0.8524419091   1.8800207343   1.7193689308
H   -2.3733186970   1.0629691479   1.3657570590
H   -3.8456703139  -1.1289353873   1.3099401496
H   -3.2781253671  -1.8828358663   2.7834938369
H    1.4954643823   0.4531255607   2.4603641743
H   -4.9011180320  -3.7578576342   2.4798569850
H   -5.7315580315  -2.2062663957   2.5053293098
H   -5.4658931271  -3.0365222548   0.9766666345
H    2.8453928017  -0.0030706454  -2.2450042712
H    3.8243494225   0.8109802519   1.8473267966
H   -3.1680596991   1.0768295187  -1.1304940852
H   -0.2613096532   3.6753770401  -2.5049291925
*