! 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   5.1543936742  -2.0979745517   0.0936832141
O    0.2894462453   1.1563725740  -0.1500311716
O   -1.0551202295  -0.6095545331  -1.6008775341
N   -1.8302367990   1.8534359104   0.2387830955
N   -2.2159430248   2.5481089211   1.3157926403
N   -3.1369677761   3.3954683499  -0.5474675035
C   -2.6042294363  -1.3125860381   0.0965544028
C   -1.5184633682  -0.4373812522  -0.5023618289
C   -0.9468709783   0.7286670265   0.3456916532
C   -1.9209549951  -2.2395631878   1.1166978649
C   -3.6805639648  -0.4907303030   0.8129259087
C   -3.2458832286  -2.1528159320  -1.0034699973
C    1.3760917102   0.3419297031  -0.0529145202
C   -2.3868625051   2.3741209061  -0.8630167349
C    2.4907350114   0.7354336462  -0.7873561409
C    1.4332119373  -0.7994958534   0.7346144704
C   -2.9964579942   3.4532667037   0.7938786941
C    3.6537273879  -0.0101329703  -0.7399294345
C    2.5997853939  -1.5521013918   0.7765695494
C    3.7010016693  -1.1565804720   0.0408077096
H   -0.9033570851   0.4673398820   1.4064342827
H   -1.1379710671  -2.8445209495   0.6579359598
H   -1.4927139405  -1.6949164705   1.9600136097
H   -2.6667057275  -2.9212048228   1.5280142916
H   -3.2970476969   0.0609931985   1.6707451052
H   -4.4411100176  -1.1719992500   1.1960116192
H   -4.1812150829   0.2106517290   0.1433736376
H   -4.0309192480  -2.7746728386  -0.5721052894
H   -2.5303730612  -2.8174919425  -1.4869362648
H   -3.7059016854  -1.5309691896  -1.7725670742
H   -2.2184133084   1.9920759725  -1.8575847073
H    2.4465018209   1.6276387347  -1.3979317892
H    0.6017634385  -1.1273227382   1.3425657933
H   -3.4891330525   4.1924013686   1.4048121873
H    4.5143595656   0.3036252421  -1.3143712182
H    2.6335157967  -2.4406312636   1.3914130869
*