! 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  -0.4930246145   1.0569845357  -2.3912166422
Cl   3.6836049885   2.5453902759   0.5605387890
O   -2.4640214771  -0.0239373446  -0.4569101837
O   -1.7538119198  -1.2072516560   1.3021868547
N    0.1267074864  -2.6053111916  -0.5163453615
N    1.2629015556  -2.3268247749  -1.1630751932
N    1.6746371537  -3.6173933129   0.6256550715
C   -1.3682764349  -0.7382443325   0.0426611604
C   -3.3466725359   0.3102758692   0.6188174696
C   -2.6118233233  -0.2174376493   1.8460526038
C   -1.1112605470  -1.9529467499  -0.8591758284
C   -0.1187459707   0.1344492726   0.1542730310
C   -3.6746671905   1.7925040527   0.6482281065
C   -2.4796296767   2.7342293927   0.6590322791
C    0.3433600260   0.9440747947  -0.8795537657
C    0.6543897346   0.0791576894   1.3095402790
C    1.5044570090   1.6918551066  -0.7638289752
C    1.8206881601   0.8108997539   1.4541840170
C    0.3920622630  -3.3600662277   0.5522032637
C    2.2332463851   1.6175985326   0.4099036343
C    2.1544502839  -2.9567732850  -0.4456747141
H   -4.2757531115  -0.2508817990   0.4767923134
H   -2.0403858569   0.5612576644   2.3628134605
H   -3.2774975298  -0.6891167909   2.5665571591
H   -1.0523434752  -1.6528751710  -1.9020405351
H   -1.9356363935  -2.6590919164  -0.7596017574
H   -4.3110729395   2.0273349708  -0.2080298071
H   -4.2951930320   1.9610969237   1.5331186835
H   -1.7854770052   2.5268767328   1.4744368146
H   -1.9212863370   2.6829504022  -0.2746246107
H   -2.8173956631   3.7636356425   0.7802613249
H    0.3452116739  -0.5536877974   2.1293575822
H    1.8364213792   2.3154225682  -1.5821745184
H    2.3936005956   0.7445742859   2.3682368830
H   -0.3694779987  -3.7134547766   1.2284561915
H    3.1998990911  -2.9459308906  -0.7109752281
*
