! 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  -0.3304734112  -0.5424799493  -2.1102219926
Cl   3.9650981785  -2.2408482184   0.5710727637
O   -0.6971182731   2.5457896081   0.9437210441
N   -2.3517329157  -0.6857100735   0.6700482886
N   -3.2567132043  -2.2287743060  -0.6212939286
C   -0.9109294544   1.2937285248   0.3400060166
C   -2.0164718896   0.6276916048   1.1661452311
C    0.3381196582   0.4412913246   0.3354129928
C    0.6618565026  -0.4336122373  -0.6952338871
C    1.1825711291   0.4636290720   1.4426953035
C   -1.7290722172  -1.8649037333   0.9795921664
C   -3.2429129080  -0.9601706521  -0.3073275026
C    0.1509033450   3.4324249322   0.2249888926
C    1.7723113710  -1.2630329963  -0.6373702848
C    2.2999262319  -0.3467287080   1.5303960838
C    2.5810268589  -1.2092112010   0.4828934018
C   -2.3055040892  -2.8029523794   0.1774803272
C   -0.4918678305   3.9964889524  -1.0027219576
C   -0.7510252546   5.2884942211  -1.1589402500
H   -1.2829001826   1.4131080335  -0.6835343718
H   -1.7069566017   0.5404363166   2.2080671767
H   -2.9125297092   1.2474490667   1.1377454711
H    0.9634218106   1.1325135269   2.2649212472
H   -0.9619090037  -1.9328402360   1.7327432012
H   -3.8676847743  -0.1941229593  -0.7408710912
H    0.4012757916   4.2360738372   0.9189937584
H    1.0905796261   2.9329369591  -0.0404126701
H    1.9962746858  -1.9376436374  -1.4518071203
H    2.9362470197  -0.3055335505   2.4030163936
H   -2.0885157285  -3.8587403193   0.1393336355
H   -0.7280257406   3.3092507250  -1.8098972207
H   -1.1948806242   5.6715353364  -2.0685968543
H   -0.5250270087   6.0138766540  -0.3857756107
*
