! 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  -0.7983201833  -1.1963463513   2.5812375467
Cl  -4.1096318205   1.2659219137  -0.8377374639
O    0.5649708819  -3.1399465910  -0.7750751942
N    1.5534813375  -2.4518213215  -0.1369579938
N    3.1089679449   2.2566040071  -1.4526138897
C    2.1895261988  -0.4510693643   0.9869959727
C    1.1825949547  -1.3034571778   0.2666811119
C   -0.1549061465  -0.7224354118   0.0018442096
C    2.2800534028   0.9091246294   0.3531569586
C   -1.1150449390  -0.5846636894   0.9947177971
C   -0.4512202135  -0.2319333769  -1.2662857807
C    1.5736051845   1.9976116410   0.8467033497
C    3.0277818360   1.1025392297  -0.8021660175
C   -2.3350488112   0.0282464264   0.7548496662
C   -1.6602542867   0.3823905795  -1.5378666779
C   -2.5908772057   0.5068903715  -0.5182910580
C    1.6474328343   3.2091262605   0.1791328762
C    2.4247526349   3.2864203015  -0.9644879054
C    1.0658506269  -4.3709190000  -1.2651947729
H    1.9005769497  -0.3480544186   2.0357540187
H    3.1557033478  -0.9566058290   0.9712621214
H    0.2844159116  -0.3176405935  -2.0550670397
H    0.9728570968   1.9005790891   1.7431680482
H    3.5917667363   0.2750669567  -1.2211269897
H   -3.0680266504   0.1234383237   1.5435759905
H   -1.8691210575   0.7585328639  -2.5292469744
H    1.1120514158   4.0783613072   0.5347809789
H    2.5004311655   4.2199187202  -1.5091299030
H    0.2275689098  -4.8644076865  -1.7527854638
H    1.4324039992  -5.0108702768  -0.4598892239
H    1.8625179050  -4.2234749710  -1.9972637309
*
