! 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   2.2254836862  -1.6206019173   2.4913164729
Cl  -6.6320477456   1.6326160373  -1.0963441822
O    4.2421638642  -0.7574278380   0.5079854198
O    3.6673686283   0.5459532391  -1.1909865277
O   -2.0596910694  -1.8867968992  -0.0736238962
N    2.0729244386   2.1431007967   0.8784221964
N    1.8972867335   2.9499336516  -0.1723306260
N    0.0017238792   2.7895539460   1.0197490115
C    3.2565355612   0.1338107915   0.0805833546
C    4.7150110596  -1.4666964160  -0.6377316143
C    3.2566214545   1.3391148426   1.0325684075
C    4.2326249860  -0.5983237820  -1.8122575560
C    1.8658468946  -0.4968952232   0.0224460653
C    4.2000669585  -2.8882974335  -0.6873394970
C    1.3231403362  -1.2519431787   1.0585165878
C    1.0360052593  -0.2208987590  -1.0620346750
C    0.0125397490  -1.7030826813   1.0284937031
C   -0.2693563854  -0.6700250117  -1.1253019394
C   -0.7778797508  -1.4048810101  -0.0661759864
C    0.9308556358   2.0429036026   1.5627968440
C    0.6488139368   3.3146333307  -0.0391071554
C   -3.0890856894  -1.0156997851  -0.3183331127
C   -4.2304768462  -1.5451474069  -0.9031274868
C   -3.0358627882   0.3262657201   0.0366806838
C   -5.3267551022  -0.7314736281  -1.1365124147
C   -4.1300167438   1.1419006156  -0.2066811466
C   -5.2672670218   0.6096494795  -0.7920252444
H    5.8050334147  -1.4753641624  -0.5786485507
H    4.1398198962   1.9518393791   0.8574062915
H    3.2916818626   0.9929438503   2.0637831755
H    5.0433088622  -0.2731957384  -2.4624442191
H    3.4907268018  -1.1241638344  -2.4225352767
H    3.1123326938  -2.9277031062  -0.7558460859
H    4.5106637127  -3.4528215007   0.1911913974
H    4.6066225011  -3.3923128588  -1.5655033958
H    1.4146005442   0.3688157804  -1.8842569183
H   -0.3934109534  -2.2750588492   1.8519596377
H   -0.8786081034  -0.4383089734  -1.9889154945
H    0.8295727461   1.4440426135   2.4546246383
H    0.1838030349   3.9976152126  -0.7325141045
H   -4.2665094394  -2.5919666395  -1.1744675517
H   -2.1566153840   0.7525222161   0.5028926738
H   -6.2149203504  -1.1467537067  -1.5920678501
H   -4.0885390159   2.1867064044   0.0685751950
*