! 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  -6.0658210459   0.5437228945   0.6718953499
O    2.9016652213   1.5588735796   0.3395191363
O    0.2462224083  -1.5484969345   0.9927605507
N    2.0945428237  -0.5399093810   0.1350243009
N    1.5793285563  -2.7644005960  -0.3808346246
N    1.7634710282  -4.2128638822  -2.0278673770
C    1.7533317949   0.8129388014   0.6716224620
C    3.5171225838  -0.5789360453  -0.3074211388
C    4.0022473693   0.6834796911   0.4046950502
C    0.5645678804   1.4065158981  -0.0774643970
C    1.5637642301   0.8088719954   2.1872068817
C    4.3039498523  -1.7837635784   0.1860749497
C    3.6695514523  -0.4057529940  -1.8151296636
C    0.2529662068   2.8523985671   0.2921467487
C    1.2554258094  -1.5623672787   0.3147564017
C   -0.9118347337   3.4221443847  -0.5240447335
C   -2.2124977893   2.7215322087  -0.2513201159
C    1.7591894774  -3.9931422882   0.2058303037
C    1.5772441949  -2.9600238828  -1.7245609578
C   -2.7133367834   1.7543013124  -1.1178679956
C   -2.9330999787   2.9989755801   0.9087889825
C    1.8931548192  -4.8644039624  -0.8286906769
C   -3.8947483226   1.0789884377  -0.8439222140
C   -4.1154924889   2.3370995487   1.2012458500
C   -4.5862173954   1.3779553067   0.3178737953
H    4.2918687487   0.4675132362   1.4410289776
H    4.8536504186   1.1421674820  -0.0970424174
H   -0.3116831015   0.7849766073   0.1132920501
H    0.7687086179   1.3443335875  -1.1507674224
H    0.6056542582   0.3903428288   2.4807871211
H    1.6071780723   1.8330519136   2.5570058744
H    2.3471760458   0.2437306061   2.6930201405
H    5.3675215320  -1.5460821292   0.1255618209
H    4.1484311857  -2.6746450758  -0.4192435875
H    4.0809557293  -2.0211377351   1.2266342445
H    4.7200649297  -0.2350772261  -2.0533780256
H    3.3617436811  -1.2919842085  -2.3651344867
H    3.0984215123   0.4443273353  -2.1881617425
H    0.0102896720   2.9345124061   1.3549573550
H    1.1279941352   3.4827282002   0.1217852772
H   -0.6739557606   3.3619486213  -1.5889764079
H   -1.0130979362   4.4834138527  -0.2867095807
H    1.8052617925  -4.1219096544   1.2739006482
H    1.3760101257  -2.1630024593  -2.4217019478
H   -2.1767596990   1.5177243854  -2.0286239439
H   -2.5712704124   3.7502447493   1.6007246608
H    2.0763943274  -5.9253193916  -0.7735191207
H   -4.2658948692   0.3315937426  -1.5317981805
H   -4.6611706244   2.5711132118   2.1051495140
*