! 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   4.3716424828   4.8546466963   1.0622295178
O   -1.0828512832  -1.6940761365   1.3272136168
N   -1.5868783415  -3.2564965379  -1.0165309234
N   -2.5045998890  -3.6575044768  -1.9007712003
N   -2.0625573722  -5.3029343493  -0.4439659809
C   -1.2937712182  -1.0034687409   0.1162195120
C   -2.6876523648  -0.3121052364   0.0241993098
C   -0.3377123413   0.2054965671   0.0572091021
C   -2.4509114652   0.7414435840  -1.0727094521
C   -0.9590633322   1.1257878792  -1.0006058021
C   -0.9734071296  -1.9424844670  -1.0705184048
C    1.1504550026  -0.0885081430  -0.1464704605
C   -3.0349013818   0.3829818447   1.3480597525
C   -3.8489472074  -1.2400778031  -0.3157159104
C    1.9825139231   1.1293959666   0.1424392185
C   -1.3302901959  -4.2504297013  -0.1645547717
C    2.2942393465   1.4752572413   1.4557804777
C    2.4272514179   1.9632406263  -0.8788319422
C    3.0263460244   2.6150671574   1.7488490930
C    3.1602247826   3.1102547561  -0.6072590598
C   -2.7603432816  -4.8794731818  -1.5125116487
C    3.4531406476   3.4261706105   0.7088032514
H   -0.4218530969   0.6896537339   1.0337792036
H   -3.1113926779   1.5992146390  -0.9380947279
H   -2.6894408428   0.3250170043  -2.0540181040
H   -0.4773555632   0.9757332542  -1.9700141747
H   -0.8130061243   2.1749221439  -0.7445841903
H    0.1019995051  -2.1114068320  -1.1085264297
H   -1.2569932707  -1.5011231062  -2.0243608191
H    1.3456506991  -0.4193068337  -1.1690408919
H    1.4587879206  -0.9008917944   0.5174675587
H   -2.2762646904   1.0866714868   1.6898698814
H   -3.9570997957   0.9520259574   1.2184064506
H   -3.2134553159  -0.3288888705   2.1557923197
H   -3.7782995049  -1.6576138687  -1.3176335054
H   -3.9363659450  -2.0714077293   0.3900467471
H   -4.7884266272  -0.6860473662  -0.2645086639
H   -1.8703406339  -2.2042333409   1.5474829729
H   -0.5921039360  -4.1849876738   0.6173075136
H    1.9649942231   0.8422468608   2.2712476017
H    2.2037518548   1.7183559729  -1.9098994212
H    3.2611714431   2.8626845777   2.7750239464
H    3.4971472644   3.7446446080  -1.4157043562
H   -3.4788286176  -5.4953358716  -2.0298314765
*