! 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   4.8870137165   0.3535949954   0.5896518685
O   -1.5918815506   0.5171729504   1.2339723023
N   -0.6256964561  -1.9022892271  -0.0462139433
N    0.2421294579  -1.5761657862   0.9196966571
N    1.2786529867  -2.7325032043  -0.6913308782
C   -2.2187828800   0.0118812548   0.0737733422
C   -3.7412690036   0.3379390518   0.2368233694
C   -1.6386062563   0.6465997867  -1.2248776182
C   -2.0202835042  -1.5183167990   0.0130003458
C   -4.2880789492  -0.1804522912   1.5730918176
C   -3.9539656428   1.8559948875   0.2125978497
C   -4.5744045921  -0.2916626576  -0.8845819952
C   -0.7189426784   1.8572857459  -1.0348766472
C    0.6828871201   1.5038569720  -0.6146243142
C    0.0111323625  -2.5803577584  -0.9990994310
C    1.5045853200   0.7764218312  -1.4740936976
C    1.2036659060   1.8852800089   0.6180748986
C    1.3672946418  -2.0850076728   0.4824936127
C    2.7962532795   0.4257646749  -1.1187386111
C    2.4951536637   1.5433058466   0.9948625822
C    3.2797728946   0.8108117820   0.1213530905
H   -2.4562942033   0.9500690340  -1.8782714759
H   -1.0950460841  -0.1019135043  -1.8082021888
H   -2.4669014524  -2.0087126843   0.8773552486
H   -2.4858522652  -1.9316612772  -0.8791245260
H   -5.3481205772   0.0687120506   1.6517072304
H   -3.7866775695   0.2681020982   2.4293453030
H   -4.2164331999  -1.2645928297   1.6720383697
H   -3.4134739759   2.3583042782   1.0151608586
H   -5.0143580098   2.0790795745   0.3475965456
H   -3.6537353085   2.3113778345  -0.7320434670
H   -5.6126236772   0.0330840706  -0.7960005138
H   -4.2377553276  -0.0049488150  -1.8818561436
H   -4.5830504047  -1.3819135402  -0.8387613603
H   -1.1536780071   2.5686853856  -0.3324428541
H   -0.6657372421   2.3746667129  -1.9963714332
H   -0.7095649596   0.1258394607   1.3153364169
H   -0.4857313941  -2.9528401842  -1.8808547271
H    1.1322908214   0.4703232767  -2.4448092280
H    0.5949261432   2.4589326300   1.3058620817
H    2.2830200455  -1.9980454740   1.0451911097
H    3.4133883141  -0.1448069792  -1.7993182363
H    2.8791493413   1.8451220919   1.9599432757
*