! 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   0.6575256645  -0.8978060076  -2.1925854387
Cl   5.4574078497  -0.9903165266   0.1067844032
O   -1.2262176929  -0.3990645792  -0.0176716938
O   -0.6865798963   0.9472084189   1.6978953357
N   -1.9762124455   2.2570680200  -0.4748081822
N   -2.4253769243   3.1291762244   0.4332761329
N   -4.1353057648   2.2520794578  -0.7271739779
C   -0.3636468889   0.6187788589   0.3697796714
C   -1.7323551792  -1.0312198275   1.1519125086
C   -1.7605475782   0.1265023332   2.1317049216
C   -3.0797577350  -1.6480070494   0.8567658221
C   -0.5994119721   1.8435868084  -0.5251045263
C    1.0980901789   0.1908518066   0.2845497012
C   -3.0472950868  -2.7775574116  -0.1686581014
C    1.6241465663  -0.4859318036  -0.8155524511
C    1.9760556706   0.5048227734   1.3177326666
C   -2.2580212356  -3.9974421120   0.2823841747
C    2.9597349060  -0.8553580518  -0.8757638316
C    3.3149325237   0.1541045421   1.2806810037
C   -3.0061335649   1.7323432212  -1.1402533386
C    3.7936875507  -0.5318552831   0.1792837171
C   -3.7166853690   3.0935915431   0.2373847505
H   -1.0237544769  -1.7944464440   1.4990550082
H   -2.7079316693   0.6763059029   2.0862042844
H   -1.5869355718  -0.1839758818   3.1618038245
H   -3.7590597530  -0.8597487977   0.5190923094
H   -3.4858566485  -2.0249675894   1.8005468203
H   -0.3384529790   1.6248876914  -1.5592975704
H    0.0264504140   2.6711793157  -0.1970626739
H   -2.6442422205  -2.4056857584  -1.1137338502
H   -4.0776712139  -3.0746070496  -0.3760403152
H    1.6132400313   1.0391687215   2.1834215067
H   -2.6165255102  -4.3676536021   1.2447601971
H   -2.3517643037  -4.8116390331  -0.4369892106
H   -1.1933374593  -3.7853216460   0.3875061977
H    3.3388389266  -1.3877734147  -1.7366583316
H    3.9670587733   0.4138890165   2.1025136168
H   -2.8879495435   1.0037996764  -1.9256928534
H   -4.3901237769   3.7101889279   0.8114976957
*
