! 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   0.3928004901  -1.2715962559  -2.3177560912
Cl   4.7053274334   0.6782956824   0.1253743147
O   -1.7682868659  -1.2859400129  -0.2951959592
O   -1.8305217006   0.2718866412   1.2878429658
N   -1.2544264562   2.2706252682  -0.8716294723
N   -0.2312948841   2.6254402173  -1.6543449979
N   -0.5523548855   4.1529773172  -0.0422184086
C   -1.2989431397  -0.0170932110   0.0232292479
C   -1.7639591250  -2.0374699911   0.9144872357
C   -2.0025345837  -0.9591362723   1.9814600026
C   -2.8351283949  -3.1060028713   0.8438906997
C   -1.8742221929   0.9752369901  -0.9931754553
C    0.2268601188   0.0654157953   0.0613689598
C   -2.8914139556  -3.9942960244   2.0842608012
C    1.0440636395  -0.4335580466  -0.9500396638
C    0.8482215816   0.7654206968   1.0913051451
C   -1.6655892007  -4.8758108388   2.2759716372
C    2.4196349594  -0.2616615738  -0.9333675181
C    2.2176416724   0.9640030702   1.1292101851
C   -1.4211072195   3.1805136136   0.0895200361
C    2.9932364015   0.4424308462   0.1102363697
C    0.1473952028   3.7563770751  -1.1221683775
H   -0.7751511619  -2.4919318660   1.0493588055
H   -3.0187692737  -0.9860575326   2.3821056709
H   -1.3006420310  -1.0419817771   2.8139777343
H   -2.6577436731  -3.7310708684  -0.0360188466
H   -3.8036381512  -2.6182953107   0.7002265212
H   -2.9497493764   1.0676489006  -0.8430145664
H   -1.7041912765   0.6231026570  -2.0074223848
H   -3.7758009939  -4.6293693592   2.0004558516
H   -3.0509693103  -3.3839810309   2.9785784288
H    0.2512813792   1.1837248366   1.8890508004
H   -0.7617849574  -4.2975126184   2.4728696922
H   -1.8030861818  -5.5532492704   3.1194410016
H   -1.4786230517  -5.4873834292   1.3911207605
H    3.0298727723  -0.6637407182  -1.7298259062
H    2.6638243230   1.5185098501   1.9424370651
H   -2.1879899381   3.1087611697   0.8437714579
H    0.9644014052   4.3263900993  -1.5354308651
*
